N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide

C22H25FN2O2 — CID 109055423

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-4-3-13-25(15-16)22(27)19-6-2-5-18(14-19)21(26)24-12-11-17-7-9-20(23)10-8-17/h2,5-10,14,16H,3-4,11-13,15H2,1H3,(H,24,26)
InChIKeyYILXBCQDJYENKK-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide

N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109055423) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109055423
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-4-3-13-25(15-16)22(27)19-6-2-5-18(14-19)21(26)24-12-11-17-7-9-20(23)10-8-17/h2,5-10,14,16H,3-4,11-13,15H2,1H3,(H,24,26)
InChIKeyYILXBCQDJYENKK-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide (CID 109055423) is N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide is CC1CCCN(C(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is YILXBCQDJYENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-4-3-13-25(15-16)22(27)19-6-2-5-18(14-19)21(26)24-12-11-17-7-9-20(23)10-8-17/h2,5-10,14,16H,3-4,11-13,15H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 368.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109055423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).