N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide

C20H23FN2O — CID 23723582

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O/c1-15-7-2-4-10-18(15)20(24)22-17-9-6-12-23(14-17)13-16-8-3-5-11-19(16)21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24)
InChIKeyHVUDMFVFFKHEQP-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.53
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide (PubChem CID 23723582) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
PubChem CID23723582
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O/c1-15-7-2-4-10-18(15)20(24)22-17-9-6-12-23(14-17)13-16-8-3-5-11-19(16)21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24)
InChIKeyHVUDMFVFFKHEQP-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 95713609
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56712984
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide (CID 23723582) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide?
The InChIKey is HVUDMFVFFKHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-7-2-4-10-18(15)20(24)22-17-9-6-12-23(14-17)13-16-8-3-5-11-19(16)21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 23723582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).