1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide

C23H37N3O3 — CID 45189845

IUPAC1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C2CC2)CC1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H37N3O3/c27-21-9-8-20(16-26(21)15-18-4-2-1-3-5-18)22(28)24-14-17-10-12-25(13-11-17)23(29)19-6-7-19/h17-20H,1-16H2,(H,24,28)
InChIKeyPSLMMZSVYXLHBS-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.57
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45189845) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45189845
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)C2CC2)CC1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H37N3O3/c27-21-9-8-20(16-26(21)15-18-4-2-1-3-5-18)22(28)24-14-17-10-12-25(13-11-17)23(29)19-6-7-19/h17-20H,1-16H2,(H,24,28)
InChIKeyPSLMMZSVYXLHBS-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
N-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131902694
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 45189845) is 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCC1CCN(C(=O)C2CC2)CC1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PSLMMZSVYXLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c27-21-9-8-20(16-26(21)15-18-4-2-1-3-5-18)22(28)24-14-17-10-12-25(13-11-17)23(29)19-6-7-19/h17-20H,1-16H2,(H,24,28).
What are the key properties of 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45189845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).