N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride

C12H18ClN3O — CID 56832251

IUPACN-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)C1CCCNC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-2-1-5-14-9-11)15-8-10-3-6-13-7-4-10;/h3-4,6-7,11,14H,1-2,5,8-9H2,(H,15,16);1H
InChIKeyUQVQXLZYZMBUOH-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.12
Rot. Bonds3

About N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride

N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 56832251) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID56832251
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)C1CCCNC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-2-1-5-14-9-11)15-8-10-3-6-13-7-4-10;/h3-4,6-7,11,14H,1-2,5,8-9H2,(H,15,16);1H
InChIKeyUQVQXLZYZMBUOH-UHFFFAOYSA-N
XLogP1.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119864785
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 56832251) is N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccncc1)C1CCCNC1.
What is the InChIKey of N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is UQVQXLZYZMBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c16-12(11-2-1-5-14-9-11)15-8-10-3-6-13-7-4-10;/h3-4,6-7,11,14H,1-2,5,8-9H2,(H,15,16);1H.
What are the key properties of N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride?
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 56832251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).