3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide

C15H21FN2O — CID 114955798

IUPAC3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CNCCC2C)cc1F
InChIInChI=1S/C15H21FN2O/c1-10-5-6-17-8-13(10)9-18-15(19)12-4-3-11(2)14(16)7-12/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyPUNSMLZZOPDODQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.11
Rot. Bonds3

About 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide

3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 114955798) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
PubChem CID114955798
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CNCCC2C)cc1F
InChIInChI=1S/C15H21FN2O/c1-10-5-6-17-8-13(10)9-18-15(19)12-4-3-11(2)14(16)7-12/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyPUNSMLZZOPDODQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
CID 119704143
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide (CID 114955798) is 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCC2CNCCC2C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is PUNSMLZZOPDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-5-6-17-8-13(10)9-18-15(19)12-4-3-11(2)14(16)7-12/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide?
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114955798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).