N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride

C13H21Cl2N3O — CID 119842424

IUPACN-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1cccnc1)C1CCCNC1
InChIInChI=1S/C13H19N3O.2ClH/c17-13(12-4-2-7-15-10-12)16-8-5-11-3-1-6-14-9-11;;/h1,3,6,9,12,15H,2,4-5,7-8,10H2,(H,16,17);2*1H
InChIKeyPALDVDBLYMVMEP-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.58
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride

N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119842424) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119842424
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC NameN-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1cccnc1)C1CCCNC1
InChIInChI=1S/C13H19N3O.2ClH/c17-13(12-4-2-7-15-10-12)16-8-5-11-3-1-6-14-9-11;;/h1,3,6,9,12,15H,2,4-5,7-8,10H2,(H,16,17);2*1H
InChIKeyPALDVDBLYMVMEP-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
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(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
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N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride (CID 119842424) is N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1cccnc1)C1CCCNC1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is PALDVDBLYMVMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c17-13(12-4-2-7-15-10-12)16-8-5-11-3-1-6-14-9-11;;/h1,3,6,9,12,15H,2,4-5,7-8,10H2,(H,16,17);2*1H.
What are the key properties of N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119842424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).