N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride

C13H21Cl2N3O2 — CID 119389266

IUPACN-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
SMILESCC(Oc1cccnc1)C(=O)NC1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10(18-12-3-2-6-15-9-12)13(17)16-11-4-7-14-8-5-11;;/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,16,17);2*1H
InChIKeyYLIOLGBZXCJDNQ-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.56
Rot. Bonds4

About N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride

N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride (PubChem CID 119389266) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
PubChem CID119389266
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC NameN-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
SMILESCC(Oc1cccnc1)C(=O)NC1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10(18-12-3-2-6-15-9-12)13(17)16-11-4-7-14-8-5-11;;/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,16,17);2*1H
InChIKeyYLIOLGBZXCJDNQ-UHFFFAOYSA-N
XLogP1.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-[1-(2-pyridin-3-yloxypropanoyl)piperidin-4-yl]acetamide
CID 136526393
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
2-pyridin-3-yloxypropanoic acid
CID 22668209
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride?
The IUPAC name of N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride (CID 119389266) is N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride?
The canonical SMILES for N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride is CC(Oc1cccnc1)C(=O)NC1CCNCC1.Cl.Cl.
What is the InChIKey of N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride?
The InChIKey is YLIOLGBZXCJDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-10(18-12-3-2-6-15-9-12)13(17)16-11-4-7-14-8-5-11;;/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,16,17);2*1H.
What are the key properties of N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride?
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride is sourced from PubChem (CID 119389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).