N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane

C105H124N12O12 — CID 160730936

IUPACN-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane
SMILESC.C.C.C.CCCCNC(=O)C1C(=O)Nc2ccccc2N1C(=O)Cc1ccccc1.CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)C(C(=O)NCc2ccccc2)C1=O.O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NCc1ccccc1
InChIInChI=1S/C33H31N3O3.C27H27N3O3.C21H23N3O3.C20H27N3O3.4CH4/c37-31(34-23-25-13-5-1-6-14-25)30-33(39)35(24-26-15-7-2-8-16-26)21-22-36(30)32(38)29(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-29-17-18-30(24(27(29)33)25(31)28-19-20-11-5-2-6-12-20)26(32)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-2-3-13-22-20(26)19-21(27)23-16-11-7-8-12-17(16)24(19)18(25)14-15-9-5-4-6-10-15;24-17(13-15-7-3-1-4-8-15)23-12-11-21-19(25)18(23)20(26)22-14-16-9-5-2-6-10-16;;;;/h1-20,29-30H,21-24H2,(H,34,37);2-16,23-24H,17-19H2,1H3,(H,28,31);4-12,19H,2-3,13-14H2,1H3,(H,22,26)(H,23,27);2,5-6,9-10,15,18H,1,3-4,7-8,11-14H2,(H,21,25)(H,22,26);4*1H4
InChIKeyRUIDLLUXIVQYQW-UHFFFAOYSA-N
MW1746.22 g/mol
LogP13.82
Rot. Bonds25

About N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane

N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane (PubChem CID 160730936) has the molecular formula C105H124N12O12 and a molecular weight of 1746.22 g/mol. Its IUPAC name is N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane.

Molecular Properties

Compound NameN-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane
PubChem CID160730936
Molecular FormulaC105H124N12O12
Molecular Weight1746.22 g/mol
Exact Mass1744.95
IUPAC NameN-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane
SMILESC.C.C.C.CCCCNC(=O)C1C(=O)Nc2ccccc2N1C(=O)Cc1ccccc1.CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)C(C(=O)NCc2ccccc2)C1=O.O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NCc1ccccc1
InChIInChI=1S/C33H31N3O3.C27H27N3O3.C21H23N3O3.C20H27N3O3.4CH4/c37-31(34-23-25-13-5-1-6-14-25)30-33(39)35(24-26-15-7-2-8-16-26)21-22-36(30)32(38)29(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-29-17-18-30(24(27(29)33)25(31)28-19-20-11-5-2-6-12-20)26(32)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-2-3-13-22-20(26)19-21(27)23-16-11-7-8-12-17(16)24(19)18(25)14-15-9-5-4-6-10-15;24-17(13-15-7-3-1-4-8-15)23-12-11-21-19(25)18(23)20(26)22-14-16-9-5-2-6-10-16;;;;/h1-20,29-30H,21-24H2,(H,34,37);2-16,23-24H,17-19H2,1H3,(H,28,31);4-12,19H,2-3,13-14H2,1H3,(H,22,26)(H,23,27);2,5-6,9-10,15,18H,1,3-4,7-8,11-14H2,(H,21,25)(H,22,26);4*1H4
InChIKeyRUIDLLUXIVQYQW-UHFFFAOYSA-N
XLogP13.82
TPSA296.46 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001746.22
LogP ≤ 513.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane with MolForge

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Related Compounds

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(3S)-3-[(1S)-2-amino-3-(3,5-difluorophenyl)-1-hydroxypropyl]-1-benzyl-4-(2-cyclopentylacetyl)piperazin-2-one
CID 70920741
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CID 110625860
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CID 113005595
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CID 42702590
N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 90983267
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane?
The IUPAC name of N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane (CID 160730936) is N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane.
What is the SMILES notation for N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane?
The canonical SMILES for N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane is C.C.C.C.CCCCNC(=O)C1C(=O)Nc2ccccc2N1C(=O)Cc1ccccc1.CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)C(C(=O)NCc2ccccc2)C1=O.O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane?
The InChIKey is RUIDLLUXIVQYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O3.C27H27N3O3.C21H23N3O3.C20H27N3O3.4CH4/c37-31(34-23-25-13-5-1-6-14-25)30-33(39)35(24-26-15-7-2-8-16-26)21-22-36(30)32(38)29(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-29-17-18-30(24(27(29)33)25(31)28-19-20-11-5-2-6-12-20)26(32)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-2-3-13-22-20(26)19-21(27)23-16-11-7-8-12-17(16)24(19)18(25)14-15-9-5-4-6-10-15;24-17(13-15-7-3-1-4-8-15)23-12-11-21-19(25)18(23)20(26)22-14-16-9-5-2-6-10-16;;;;/h1-20,29-30H,21-24H2,(H,34,37);2-16,23-24H,17-19H2,1H3,(H,28,31);4-12,19H,2-3,13-14H2,1H3,(H,22,26)(H,23,27);2,5-6,9-10,15,18H,1,3-4,7-8,11-14H2,(H,21,25)(H,22,26);4*1H4.
What are the key properties of N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane?
N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane has a molecular weight of 1746.22 g/mol, XLogP of 13.82, 25 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane is sourced from PubChem (CID 160730936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).