(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide

C17H20FN5O2 — CID 96536056

IUPAC(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CNc2c(F)cccc2-n2cccn2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-5-1-6-14(23-9-3-7-21-23)16(13)20-10-15(24)22-8-2-4-12(11-22)17(19)25/h1,3,5-7,9,12,20H,2,4,8,10-11H2,(H2,19,25)/t12-/m0/s1
InChIKeyDYZDQDDWKFRVCZ-LBPRGKRZSA-N
MW345.38 g/mol
LogP1.15
Rot. Bonds5

About (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide (PubChem CID 96536056) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide
PubChem CID96536056
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CNc2c(F)cccc2-n2cccn2)C1
InChIInChI=1S/C17H20FN5O2/c18-13-5-1-6-14(23-9-3-7-21-23)16(13)20-10-15(24)22-8-2-4-12(11-22)17(19)25/h1,3,5-7,9,12,20H,2,4,8,10-11H2,(H2,19,25)/t12-/m0/s1
InChIKeyDYZDQDDWKFRVCZ-LBPRGKRZSA-N
XLogP1.15
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
CID 71858061
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47069420
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
CID 112800020
1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
CID 78821494
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 56820950
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide (CID 96536056) is (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CNc2c(F)cccc2-n2cccn2)C1.
What is the InChIKey of (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide?
The InChIKey is DYZDQDDWKFRVCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-5-1-6-14(23-9-3-7-21-23)16(13)20-10-15(24)22-8-2-4-12(11-22)17(19)25/h1,3,5-7,9,12,20H,2,4,8,10-11H2,(H2,19,25)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 96536056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).