N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide

C19H27FN2O2 — CID 113005666

IUPACN-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-4-11-21(2)19(24)16-9-12-22(13-10-16)18(23)14-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyDXEKLTOJHULQFO-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.87
Rot. Bonds6

About N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 113005666) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID113005666
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-4-11-21(2)19(24)16-9-12-22(13-10-16)18(23)14-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyDXEKLTOJHULQFO-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 55949891
N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55836291
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55721678
N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 55950402
N-butyl-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666476
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797192

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide (CID 113005666) is N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is DXEKLTOJHULQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-4-11-21(2)19(24)16-9-12-22(13-10-16)18(23)14-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 113005666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).