(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide

C14H17F2N3O2 — CID 96559490

IUPAC(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2N3O2/c1-9(20)17-11-3-2-6-19(8-11)14(21)18-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyBYUAKZUESYCIMJ-NSHDSACASA-N
MW297.31 g/mol
LogP2.10
Rot. Bonds2

About (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide

(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 96559490) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID96559490
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2N3O2/c1-9(20)17-11-3-2-6-19(8-11)14(21)18-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyBYUAKZUESYCIMJ-NSHDSACASA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
(3R)-3-acetamido-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 94820143
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95322997
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide (CID 96559490) is (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide is CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is BYUAKZUESYCIMJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-9(20)17-11-3-2-6-19(8-11)14(21)18-10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide?
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 96559490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).