N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide

C23H30N4O — CID 46384645

IUPACN-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C23H30N4O/c28-23(20-7-4-14-27(18-20)22-8-12-24-13-9-22)25-21-10-15-26(16-11-21)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,20-21H,4,7,10-11,14-18H2,(H,25,28)
InChIKeyHEKCWPJHXVDZED-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.08
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384645) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384645
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C23H30N4O/c28-23(20-7-4-14-27(18-20)22-8-12-24-13-9-22)25-21-10-15-26(16-11-21)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,20-21H,4,7,10-11,14-18H2,(H,25,28)
InChIKeyHEKCWPJHXVDZED-UHFFFAOYSA-N
XLogP3.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384645) is N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is HEKCWPJHXVDZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(20-7-4-14-27(18-20)22-8-12-24-13-9-22)25-21-10-15-26(16-11-21)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,20-21H,4,7,10-11,14-18H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).