4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide

C21H31N3O3 — CID 119049838

IUPAC4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
SMILESCOCc1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-27-15-16-7-9-18(10-8-16)23-21(26)24-13-11-19(12-14-24)22-20(25)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQRMGZUROHSJEAW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.53
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide

4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide (PubChem CID 119049838) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
PubChem CID119049838
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
SMILESCOCc1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-27-15-16-7-9-18(10-8-16)23-21(26)24-13-11-19(12-14-24)22-20(25)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQRMGZUROHSJEAW-UHFFFAOYSA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845870
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide
CID 7435228

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide (CID 119049838) is 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide is COCc1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is QRMGZUROHSJEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-15-16-7-9-18(10-8-16)23-21(26)24-13-11-19(12-14-24)22-20(25)17-5-3-2-4-6-17/h7-10,17,19H,2-6,11-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide?
4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 119049838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).