N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide

C13H17F2N3O — CID 60819455

IUPACN-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-16-10-4-6-18(7-5-10)13(19)17-12-3-2-9(14)8-11(12)15/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)
InChIKeyVXBWPWZDJXWFDA-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.18
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide

N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide (PubChem CID 60819455) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
PubChem CID60819455
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC NameN-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-16-10-4-6-18(7-5-10)13(19)17-12-3-2-9(14)8-11(12)15/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)
InChIKeyVXBWPWZDJXWFDA-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
N-(2,4-difluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 72933025

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide (CID 60819455) is N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide is CNC1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide?
The InChIKey is VXBWPWZDJXWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-16-10-4-6-18(7-5-10)13(19)17-12-3-2-9(14)8-11(12)15/h2-3,8,10,16H,4-7H2,1H3,(H,17,19).
What are the key properties of N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide is sourced from PubChem (CID 60819455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).