1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide

C21H31N3O2 — CID 119320484

IUPAC1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C21H31N3O2/c22-21(11-5-2-6-12-21)20(26)23-16-19(25)24-13-9-18(10-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16,22H2,(H,23,26)
InChIKeyVCGJGSQZMDJFDT-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.25
Rot. Bonds5

About 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 119320484) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID119320484
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C21H31N3O2/c22-21(11-5-2-6-12-21)20(26)23-16-19(25)24-13-9-18(10-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16,22H2,(H,23,26)
InChIKeyVCGJGSQZMDJFDT-UHFFFAOYSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167872290
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
CID 119778256
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119277157
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
CID 71983019
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide (CID 119320484) is 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is VCGJGSQZMDJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c22-21(11-5-2-6-12-21)20(26)23-16-19(25)24-13-9-18(10-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16,22H2,(H,23,26).
What are the key properties of 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119320484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).