1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride

C17H25ClFN3O2 — CID 120831343

IUPAC1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-12(19-2)10-20-16(22)14-4-3-9-21(11-14)17(23)13-5-7-15(18)8-6-13;/h5-8,12,14,19H,3-4,9-11H2,1-2H3,(H,20,22);1H
InChIKeySCVYTPRHUNVGKH-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.82
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride

1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 120831343) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID120831343
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-12(19-2)10-20-16(22)14-4-3-9-21(11-14)17(23)13-5-7-15(18)8-6-13;/h5-8,12,14,19H,3-4,9-11H2,1-2H3,(H,20,22);1H
InChIKeySCVYTPRHUNVGKH-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55484095
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
CID 51276366
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride (CID 120831343) is 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is SCVYTPRHUNVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-12(19-2)10-20-16(22)14-4-3-9-21(11-14)17(23)13-5-7-15(18)8-6-13;/h5-8,12,14,19H,3-4,9-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride?
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120831343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).