(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C22H29N5O — CID 51934536

IUPAC(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H29N5O/c28-22(19-7-4-12-27(17-19)21-15-23-10-11-24-21)25-20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19-20H,4,7-9,12-14,16-17H2,(H,25,28)/t19-/m0/s1
InChIKeyVICCOAZGSXMTFB-IBGZPJMESA-N
MW379.51 g/mol
LogP2.47
Rot. Bonds5

About (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 51934536) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID51934536
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H29N5O/c28-22(19-7-4-12-27(17-19)21-15-23-10-11-24-21)25-20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19-20H,4,7-9,12-14,16-17H2,(H,25,28)/t19-/m0/s1
InChIKeyVICCOAZGSXMTFB-IBGZPJMESA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37037897

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 51934536) is (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is VICCOAZGSXMTFB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(19-7-4-12-27(17-19)21-15-23-10-11-24-21)25-20-8-13-26(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19-20H,4,7-9,12-14,16-17H2,(H,25,28)/t19-/m0/s1.
What are the key properties of (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51934536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).