N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride

C20H23ClFN3O2 — CID 119289646

IUPACN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)Nc1cc(NC(=O)C2CCCNC2)ccc1F
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-9-8-16(23-20(26)15-7-4-10-22-13-15)12-18(17)24-19(25)11-14-5-2-1-3-6-14;/h1-3,5-6,8-9,12,15,22H,4,7,10-11,13H2,(H,23,26)(H,24,25);1H
InChIKeyYNKSOCOHKNDMNP-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.37
Rot. Bonds5

About N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119289646) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119289646
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)Nc1cc(NC(=O)C2CCCNC2)ccc1F
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-9-8-16(23-20(26)15-7-4-10-22-13-15)12-18(17)24-19(25)11-14-5-2-1-3-6-14;/h1-3,5-6,8-9,12,15,22H,4,7,10-11,13H2,(H,23,26)(H,24,25);1H
InChIKeyYNKSOCOHKNDMNP-UHFFFAOYSA-N
XLogP3.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
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(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
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N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119286599
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119289646) is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Cc1ccccc1)Nc1cc(NC(=O)C2CCCNC2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is YNKSOCOHKNDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c21-17-9-8-16(23-20(26)15-7-4-10-22-13-15)12-18(17)24-19(25)11-14-5-2-1-3-6-14;/h1-3,5-6,8-9,12,15,22H,4,7,10-11,13H2,(H,23,26)(H,24,25);1H.
What are the key properties of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119289646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).