N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C17H26FN3O2 — CID 119850677

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(c2ccc(F)cc2)N(C)C)CCNCC1
InChIInChI=1S/C17H26FN3O2/c1-21(2)15(13-4-6-14(18)7-5-13)12-20-16(22)17(23-3)8-10-19-11-9-17/h4-7,15,19H,8-12H2,1-3H3,(H,20,22)
InChIKeyXIXJRDKOSWTAQP-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119850677) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119850677
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(c2ccc(F)cc2)N(C)C)CCNCC1
InChIInChI=1S/C17H26FN3O2/c1-21(2)15(13-4-6-14(18)7-5-13)12-20-16(22)17(23-3)8-10-19-11-9-17/h4-7,15,19H,8-12H2,1-3H3,(H,20,22)
InChIKeyXIXJRDKOSWTAQP-UHFFFAOYSA-N
XLogP1.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831132
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119850677) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC(c2ccc(F)cc2)N(C)C)CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is XIXJRDKOSWTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-21(2)15(13-4-6-14(18)7-5-13)12-20-16(22)17(23-3)8-10-19-11-9-17/h4-7,15,19H,8-12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).