N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide

C21H33N3O2 — CID 132972044

IUPACN-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide
SMILESCCc1ccccc1C(N)CNC(=O)N1CCCC(C2CCCCO2)C1
InChIInChI=1S/C21H33N3O2/c1-2-16-8-3-4-10-18(16)19(22)14-23-21(25)24-12-7-9-17(15-24)20-11-5-6-13-26-20/h3-4,8,10,17,19-20H,2,5-7,9,11-15,22H2,1H3,(H,23,25)
InChIKeyHQMWMOHLMWYEOC-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.24
Rot. Bonds5

About N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide

N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide (PubChem CID 132972044) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide
PubChem CID132972044
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide
SMILESCCc1ccccc1C(N)CNC(=O)N1CCCC(C2CCCCO2)C1
InChIInChI=1S/C21H33N3O2/c1-2-16-8-3-4-10-18(16)19(22)14-23-21(25)24-12-7-9-17(15-24)20-11-5-6-13-26-20/h3-4,8,10,17,19-20H,2,5-7,9,11-15,22H2,1H3,(H,23,25)
InChIKeyHQMWMOHLMWYEOC-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-1-carboxamide, 7a
CID 44143374
Piperidine-1-carboxamide, 7b
CID 44143375
Piperidine-1-carboxamide, 7h
CID 44143381
(R)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)-3-((R)-(3-methoxypropoxy)(phenyl)methyl)piperidine-1-carboxamide
CID 52945945
(3S)-3-[(tert-butylcarbamoylamino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 44286884
4-methoxy-N-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907692
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47027634
4-[cyclopropyl(4-fluorobenzyl)amino]-N-isopentyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919187
4-[benzyl(methyl)amino]-N-cyclopentyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919099
4-[(1-Benzylpiperidin-4-YL)oxy]-N-(3-ethoxypropyl)piperidine-1-carboxamide
CID 91906243
4-[Benzyl(methyl)amino]-N-(2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908258
N-Benzyl-4-[1-cyclopropyl(ethylcarbamoyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909257

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide (CID 132972044) is N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide is CCc1ccccc1C(N)CNC(=O)N1CCCC(C2CCCCO2)C1.
What is the InChIKey of N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide?
The InChIKey is HQMWMOHLMWYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-16-8-3-4-10-18(16)19(22)14-23-21(25)24-12-7-9-17(15-24)20-11-5-6-13-26-20/h3-4,8,10,17,19-20H,2,5-7,9,11-15,22H2,1H3,(H,23,25).
What are the key properties of N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide?
N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(2-ethylphenyl)ethyl]-3-(oxan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 132972044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).