1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C24H35N3O3 — CID 45174365

IUPAC1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C24H35N3O3/c28-23-11-8-21(18-27(23)17-20-4-2-1-3-5-20)24(29)25-16-19-6-9-22(10-7-19)26-12-14-30-15-13-26/h6-7,9-10,20-21H,1-5,8,11-18H2,(H,25,29)
InChIKeyKKYSKKCFUPNREB-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.96
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45174365) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45174365
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C24H35N3O3/c28-23-11-8-21(18-27(23)17-20-4-2-1-3-5-20)24(29)25-16-19-6-9-22(10-7-19)26-12-14-30-15-13-26/h6-7,9-10,20-21H,1-5,8,11-18H2,(H,25,29)
InChIKeyKKYSKKCFUPNREB-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115689
N-[(5-acetyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 159483287
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45174365) is 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KKYSKKCFUPNREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-23-11-8-21(18-27(23)17-20-4-2-1-3-5-20)24(29)25-16-19-6-9-22(10-7-19)26-12-14-30-15-13-26/h6-7,9-10,20-21H,1-5,8,11-18H2,(H,25,29).
What are the key properties of 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).