1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one

C23H37N3O3 — CID 45242721

IUPAC1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCCN1CC1CCN(C(=O)C2CCC(=O)N(CC3CCCCC3)C2)CC1
InChIInChI=1S/C23H37N3O3/c27-21-7-4-12-25(21)15-19-10-13-24(14-11-19)23(29)20-8-9-22(28)26(17-20)16-18-5-2-1-3-6-18/h18-20H,1-17H2
InChIKeyKSXNINPOXSPBAU-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.67
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one

1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one (PubChem CID 45242721) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
PubChem CID45242721
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCCN1CC1CCN(C(=O)C2CCC(=O)N(CC3CCCCC3)C2)CC1
InChIInChI=1S/C23H37N3O3/c27-21-7-4-12-25(21)15-19-10-13-24(14-11-19)23(29)20-8-9-22(28)26(17-20)16-18-5-2-1-3-6-18/h18-20H,1-17H2
InChIKeyKSXNINPOXSPBAU-UHFFFAOYSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3R)-N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593721
N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 45192231
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one (CID 45242721) is 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one is O=C1CCCN1CC1CCN(C(=O)C2CCC(=O)N(CC3CCCCC3)C2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is KSXNINPOXSPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c27-21-7-4-12-25(21)15-19-10-13-24(14-11-19)23(29)20-8-9-22(28)26(17-20)16-18-5-2-1-3-6-18/h18-20H,1-17H2.
What are the key properties of 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 403.57 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45242721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).