N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

C14H18FN3O2 — CID 119308743

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCNCC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-17-14(20)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyLCPADTICQQTCJS-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.88
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 119308743) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID119308743
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCNCC1)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-17-14(20)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyLCPADTICQQTCJS-UHFFFAOYSA-N
XLogP0.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
CID 119738367
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 119308743) is N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CNC(=O)C1CCNCC1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LCPADTICQQTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-2-1-3-12(8-11)18-13(19)9-17-14(20)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.88, 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-4-carboxamide is sourced from PubChem (CID 119308743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).