N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

C14H19ClFN3O2 — CID 119308754

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1CCCNC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2.ClH/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyWJBYJTULSQUPNK-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.30
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119308754) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119308754
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1CCCNC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2.ClH/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyWJBYJTULSQUPNK-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
CID 119738367
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 119871359
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (CID 119308754) is N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(CNC(=O)C1CCCNC1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WJBYJTULSQUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10;/h1,4-5,7,10,16H,2-3,6,8-9H2,(H,17,20)(H,18,19);1H.
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119308754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).