(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

C23H31N5O4 — CID 7674390

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H31N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h4,8,10,14,16,18-19H,1-3,5-7,9,11-13,15H2,(H,25,29)(H,26,30)/t18-,19+/m0/s1
InChIKeyWKRCSTFRVAAHQC-RBUKOAKNSA-N
MW441.53 g/mol
LogP0.71
Rot. Bonds4

About (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 7674390) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID7674390
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H31N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h4,8,10,14,16,18-19H,1-3,5-7,9,11-13,15H2,(H,25,29)(H,26,30)/t18-,19+/m0/s1
InChIKeyWKRCSTFRVAAHQC-RBUKOAKNSA-N
XLogP0.71
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 7674390) is (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is WKRCSTFRVAAHQC-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H31N5O4/c29-20-18(9-5-11-25-20)26-21(30)19-15-27(22(31)17-8-4-10-24-14-17)12-13-28(19)23(32)16-6-2-1-3-7-16/h4,8,10,14,16,18-19H,1-3,5-7,9,11-13,15H2,(H,25,29)(H,26,30)/t18-,19+/m0/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 7674390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).