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

C19H31N3O2 — CID 119831132

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-5-15-6-8-16(9-7-15)17(22(2)3)14-21-18(23)19(24-4)10-12-20-13-11-19/h6-9,17,20H,5,10-14H2,1-4H3,(H,21,23)
InChIKeyHHVMMNQHZJCSLW-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.74
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119831132) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119831132
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-5-15-6-8-16(9-7-15)17(22(2)3)14-21-18(23)19(24-4)10-12-20-13-11-19/h6-9,17,20H,5,10-14H2,1-4H3,(H,21,23)
InChIKeyHHVMMNQHZJCSLW-UHFFFAOYSA-N
XLogP1.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119850677
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119783577
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119831132) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is CCc1ccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is HHVMMNQHZJCSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-15-6-8-16(9-7-15)17(22(2)3)14-21-18(23)19(24-4)10-12-20-13-11-19/h6-9,17,20H,5,10-14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.74, 7 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-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119831132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).