(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide

C16H20ClFN2O2 — CID 124505918

IUPAC(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-2-5-15(21)20-9-4-3-6-14(20)16(22)19-13-10-11(18)7-8-12(13)17/h7-8,10,14H,2-6,9H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyQIAGOFKQCZRXLE-AWEZNQCLSA-N
MW326.80 g/mol
LogP3.60
Rot. Bonds4

About (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide

(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide (PubChem CID 124505918) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
PubChem CID124505918
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-2-5-15(21)20-9-4-3-6-14(20)16(22)19-13-10-11(18)7-8-12(13)17/h7-8,10,14H,2-6,9H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyQIAGOFKQCZRXLE-AWEZNQCLSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 124505916
(2S)-1-butanoyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 124507454
3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-fluorobenzoic acid
CID 129414607
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
(2S)-1-butanoyl-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 125139648
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide (CID 124505918) is (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide is CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is QIAGOFKQCZRXLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-2-5-15(21)20-9-4-3-6-14(20)16(22)19-13-10-11(18)7-8-12(13)17/h7-8,10,14H,2-6,9H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide?
(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 326.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 124505918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).