N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride

C14H23Cl2N3O — CID 119460803

IUPACN-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC1CCCNC1)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11(13-5-3-7-16-10-13)14(18)17-9-12-4-2-6-15-8-12;;/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3,(H,17,18);2*1H
InChIKeyFPSFQMHAPNWREH-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.14
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride

N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride (PubChem CID 119460803) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
PubChem CID119460803
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC NameN-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC1CCCNC1)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11(13-5-3-7-16-10-13)14(18)17-9-12-4-2-6-15-8-12;;/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3,(H,17,18);2*1H
InChIKeyFPSFQMHAPNWREH-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylpropanamide
CID 119555906
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-(piperidin-3-ylmethyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
CID 119460334
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride (CID 119460803) is N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride is CC(C(=O)NCC1CCCNC1)c1cccnc1.Cl.Cl.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The InChIKey is FPSFQMHAPNWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11(13-5-3-7-16-10-13)14(18)17-9-12-4-2-6-15-8-12;;/h3,5,7,10-12,15H,2,4,6,8-9H2,1H3,(H,17,18);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119460803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).