N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride

C11H17Cl2N3O — CID 42941945

IUPACN-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccccn1
InChIInChI=1S/C11H15N3O.2ClH/c15-11(10-3-1-2-6-13-10)14-9-4-7-12-8-5-9;;/h1-3,6,9,12H,4-5,7-8H2,(H,14,15);2*1H
InChIKeyFPHGQKWTHSSBHK-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.41
Rot. Bonds2

About N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride

N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 42941945) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID42941945
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC NameN-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccccn1
InChIInChI=1S/C11H15N3O.2ClH/c15-11(10-3-1-2-6-13-10)14-9-4-7-12-8-5-9;;/h1-3,6,9,12H,4-5,7-8H2,(H,14,15);2*1H
InChIKeyFPHGQKWTHSSBHK-UHFFFAOYSA-N
XLogP1.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride (CID 42941945) is N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1ccccn1.
What is the InChIKey of N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is FPHGQKWTHSSBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c15-11(10-3-1-2-6-13-10)14-9-4-7-12-8-5-9;;/h1-3,6,9,12H,4-5,7-8H2,(H,14,15);2*1H.
What are the key properties of N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride?
N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 42941945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).