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

C14H19F2N3O — CID 115304661

IUPACN-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
SMILESCNC1(C)CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-14(17-2)5-7-19(8-6-14)13(20)18-12-4-3-10(15)9-11(12)16/h3-4,9,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyQYQKDPKRTIBKMJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds2

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

N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide (PubChem CID 115304661) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
PubChem CID115304661
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
SMILESCNC1(C)CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-14(17-2)5-7-19(8-6-14)13(20)18-12-4-3-10(15)9-11(12)16/h3-4,9,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyQYQKDPKRTIBKMJ-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(2,4-difluorophenyl)-4-(4-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3351880
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508450

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide (CID 115304661) is N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide is CNC1(C)CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide?
The InChIKey is QYQKDPKRTIBKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-14(17-2)5-7-19(8-6-14)13(20)18-12-4-3-10(15)9-11(12)16/h3-4,9,17H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.57, 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-methyl-4-(methylamino)piperidine-1-carboxamide is sourced from PubChem (CID 115304661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).