N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide

C19H27FN2O2 — CID 113005685

IUPACN-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-4-10-21(2)19(24)16-8-11-22(12-9-16)18(23)14-15-6-5-7-17(20)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3
InChIKeyCBAJPVVBKIQKQC-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.87
Rot. Bonds6

About N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 113005685) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID113005685
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-4-10-21(2)19(24)16-8-11-22(12-9-16)18(23)14-15-6-5-7-17(20)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3
InChIKeyCBAJPVVBKIQKQC-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-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113073822
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 55949891
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide (CID 113005685) is N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CBAJPVVBKIQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-4-10-21(2)19(24)16-8-11-22(12-9-16)18(23)14-15-6-5-7-17(20)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3.
What are the key properties of N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-(3-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-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 113005685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).