N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide

C22H33N3O2 — CID 86909124

IUPACN-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-21(23-15-18-7-3-1-4-8-18)17-25-13-11-20(12-14-25)22(27)24-16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,23,26)(H,24,27)
InChIKeyKSJSAYXBHANRCG-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.71
Rot. Bonds7

About N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 86909124) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID86909124
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-21(23-15-18-7-3-1-4-8-18)17-25-13-11-20(12-14-25)22(27)24-16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,23,26)(H,24,27)
InChIKeyKSJSAYXBHANRCG-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 27107463
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 86909124) is N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NCC1CCCCC1.
What is the InChIKey of N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KSJSAYXBHANRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(23-15-18-7-3-1-4-8-18)17-25-13-11-20(12-14-25)22(27)24-16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,23,26)(H,24,27).
What are the key properties of N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 86909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).