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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).