tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate

C24H42N4O4 — CID 176580010

IUPACtert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CC(=O)N2CCNCC2)CC1)C1CCCCC1
InChIInChI=1S/C24H42N4O4/c1-24(2,3)32-23(31)26-21(19-7-5-4-6-8-19)22(30)28-13-9-18(10-14-28)17-20(29)27-15-11-25-12-16-27/h18-19,21,25H,4-17H2,1-3H3,(H,26,31)/t21-/m1/s1
InChIKeyWGUDYAFCUMVXNY-OAQYLSRUSA-N
MW450.62 g/mol
LogP2.52
Rot. Bonds5

About tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate (PubChem CID 176580010) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate
PubChem CID176580010
Molecular FormulaC24H42N4O4
Molecular Weight450.62 g/mol
Exact Mass450.32
IUPAC Nametert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CC(=O)N2CCNCC2)CC1)C1CCCCC1
InChIInChI=1S/C24H42N4O4/c1-24(2,3)32-23(31)26-21(19-7-5-4-6-8-19)22(30)28-13-9-18(10-14-28)17-20(29)27-15-11-25-12-16-27/h18-19,21,25H,4-17H2,1-3H3,(H,26,31)/t21-/m1/s1
InChIKeyWGUDYAFCUMVXNY-OAQYLSRUSA-N
XLogP2.52
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate with MolForge

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Related Compounds

((R)-2-{(S)-2-[(4-Amino-cyclohexylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester
CID 10602962
(R)-ethyl 3-(cyclohexanecarboxamido)-1,4'-bipiperidine-1'-carboxylate
CID 46872062
ethyl 4-{[N-(cyclohexylcarbonyl)leucyl]amino}piperidine-1-carboxylate
CID 3244566
{2-Methyl-1-[(R)-3-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-2-aza-bicyclo[2.2.2]octane-2-carbonyl]-propyl}-carbamic acid tert-butyl ester
CID 73347230
ethyl 4-[N-(cyclohexylcarbonyl)leucyl]piperazine-1-carboxylate
CID 3238124
ethyl 4-{N-[(4-methylcyclohexyl)carbonyl]valyl}piperazine-1-carboxylate
CID 3241156
((S)-2-{(S)-2-[(4-Amino-cyclohexylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester
CID 10721605
tert-butyl N-[1-[[4-[[3-[4-[3-[[4-[[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methyl]cyclohexyl]methylamino]propyl]piperazin-1-yl]propylamino]methyl]cyclohexyl]methylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 44287013
tert-butyl N-[1-[[4-[[3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propylamino]methyl]cyclohexyl]methylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 44287032
((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-cyclohexyl-ethyl)-carbamic acid ethyl ester
CID 44317037
1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-cyclohexylbutanoyl]piperidine-3-carboxamide
CID 16732149
ethyl 4-{[N-(cyclohexylcarbonyl)valyl]amino}piperidine-1-carboxylate
CID 3240645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate (CID 176580010) is tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(CC(=O)N2CCNCC2)CC1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is WGUDYAFCUMVXNY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H42N4O4/c1-24(2,3)32-23(31)26-21(19-7-5-4-6-8-19)22(30)28-13-9-18(10-14-28)17-20(29)27-15-11-25-12-16-27/h18-19,21,25H,4-17H2,1-3H3,(H,26,31)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 450.62 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-cyclohexyl-2-oxo-2-[4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 176580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).