[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate

C27H35N3O4 — CID 57473679

IUPAC[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc(CN2CCN(C(=O)Oc3ccc(NC(=O)CC4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H35N3O4/c1-33-24-11-7-22(8-12-24)20-29-15-17-30(18-16-29)27(32)34-25-13-9-23(10-14-25)28-26(31)19-21-5-3-2-4-6-21/h7-14,21H,2-6,15-20H2,1H3,(H,28,31)
InChIKeyVUFDVHSDSCMEFR-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.92
Rot. Bonds7

About [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate

[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate (PubChem CID 57473679) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
PubChem CID57473679
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc(CN2CCN(C(=O)Oc3ccc(NC(=O)CC4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H35N3O4/c1-33-24-11-7-22(8-12-24)20-29-15-17-30(18-16-29)27(32)34-25-13-9-23(10-14-25)28-26(31)19-21-5-3-2-4-6-21/h7-14,21H,2-6,15-20H2,1H3,(H,28,31)
InChIKeyVUFDVHSDSCMEFR-UHFFFAOYSA-N
XLogP4.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
N-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]phenyl]acetamide
CID 24620152
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
CID 119867943
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate (CID 57473679) is [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate is COc1ccc(CN2CCN(C(=O)Oc3ccc(NC(=O)CC4CCCCC4)cc3)CC2)cc1.
What is the InChIKey of [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is VUFDVHSDSCMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-33-24-11-7-22(8-12-24)20-29-15-17-30(18-16-29)27(32)34-25-13-9-23(10-14-25)28-26(31)19-21-5-3-2-4-6-21/h7-14,21H,2-6,15-20H2,1H3,(H,28,31).
What are the key properties of [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 465.59 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 57473679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).