(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C12H15F2N3O — CID 102984073

IUPAC(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C12H15F2N3O/c13-8-3-4-11(10(14)6-8)16-12(18)17-5-1-2-9(15)7-17/h3-4,6,9H,1-2,5,7,15H2,(H,16,18)/t9-/m1/s1
InChIKeyGCTGXZXOEWNXIZ-SECBINFHSA-N
MW255.27 g/mol
LogP1.92
Rot. Bonds1

About (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide

(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 102984073) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID102984073
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C12H15F2N3O/c13-8-3-4-11(10(14)6-8)16-12(18)17-5-1-2-9(15)7-17/h3-4,6,9H,1-2,5,7,15H2,(H,16,18)/t9-/m1/s1
InChIKeyGCTGXZXOEWNXIZ-SECBINFHSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
(3S)-N-(2,4-difluorophenyl)-3-(N,4-dimethylanilino)piperidine-1-carboxamide
CID 97350787
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 102984073) is (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide is N[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is GCTGXZXOEWNXIZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-8-3-4-11(10(14)6-8)16-12(18)17-5-1-2-9(15)7-17/h3-4,6,9H,1-2,5,7,15H2,(H,16,18)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 102984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).