N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide

C24H31FN2O — CID 45184990

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)c(C)c1
InChIInChI=1S/C24H31FN2O/c1-18-10-11-22(19(2)15-18)24(28)26(3)16-20-7-6-13-27(17-20)14-12-21-8-4-5-9-23(21)25/h4-5,8-11,15,20H,6-7,12-14,16-17H2,1-3H3
InChIKeyOVWSBPHPKMRBFH-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.47
Rot. Bonds6

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide (PubChem CID 45184990) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
PubChem CID45184990
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)c(C)c1
InChIInChI=1S/C24H31FN2O/c1-18-10-11-22(19(2)15-18)24(28)26(3)16-20-7-6-13-27(17-20)14-12-21-8-4-5-9-23(21)25/h4-5,8-11,15,20H,6-7,12-14,16-17H2,1-3H3
InChIKeyOVWSBPHPKMRBFH-UHFFFAOYSA-N
XLogP4.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72885850
3-(2,4-dimethylphenyl)-1-methyl-1-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]urea
CID 42593982
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45234391
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131288
N,1-dimethyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 25381076
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
1-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 97284046
2-(2,4-dioxopyrimidin-1-yl)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 72837777
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide (CID 45184990) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)c(C)c1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide?
The InChIKey is OVWSBPHPKMRBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-18-10-11-22(19(2)15-18)24(28)26(3)16-20-7-6-13-27(17-20)14-12-21-8-4-5-9-23(21)25/h4-5,8-11,15,20H,6-7,12-14,16-17H2,1-3H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide has a molecular weight of 382.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide is sourced from PubChem (CID 45184990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).