N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

C18H25FN2O — CID 110111262

IUPACN-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-21-9-7-18(8-10-21,17(22)20-13-14-5-6-14)12-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,22)
InChIKeyCMJSWHREEIUCDZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.61
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 110111262) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
PubChem CID110111262
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-21-9-7-18(8-10-21,17(22)20-13-14-5-6-14)12-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,22)
InChIKeyCMJSWHREEIUCDZ-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 124999884
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110090792
4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129454122
4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 142821645
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
CID 70952142
4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 132779071
methyl (E)-4-[[4-[(3-fluorophenyl)methyl]oxane-4-carbonyl]amino]but-2-enoate
CID 154876912
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-1-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 170153352
N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
CID 56827603
N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 169209438
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (CID 110111262) is N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is CN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is CMJSWHREEIUCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-21-9-7-18(8-10-21,17(22)20-13-14-5-6-14)12-15-3-2-4-16(19)11-15/h2-4,11,14H,5-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110111262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).