3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride

C16H25ClN2O2 — CID 119427977

IUPAC3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-5-3-7-15(10-13)20-2)9-16(19)18-14-6-4-8-17-11-14;/h3,5,7,10,12,14,17H,4,6,8-9,11H2,1-2H3,(H,18,19);1H
InChIKeyMYNRSJJLPWNSRF-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.48
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride

3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119427977) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119427977
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-5-3-7-15(10-13)20-2)9-16(19)18-14-6-4-8-17-11-14;/h3,5,7,10,12,14,17H,4,6,8-9,11H2,1-2H3,(H,18,19);1H
InChIKeyMYNRSJJLPWNSRF-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride (CID 119427977) is 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride is COc1cccc(C(C)CC(=O)NC2CCCNC2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is MYNRSJJLPWNSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(13-5-3-7-15(10-13)20-2)9-16(19)18-14-6-4-8-17-11-14;/h3,5,7,10,12,14,17H,4,6,8-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride?
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119427977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).