N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide

C21H26N2O2 — CID 23763777

IUPACN-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCC(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-3-16-7-6-8-18(15-16)22-21(24)23-13-11-17(12-14-23)19-9-4-5-10-20(19)25-2/h4-10,15,17H,3,11-14H2,1-2H3,(H,22,24)
InChIKeyYJADBBQRGQSJQY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.67
Rot. Bonds4

About N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide

N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 23763777) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID23763777
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCC(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-3-16-7-6-8-18(15-16)22-21(24)23-13-11-17(12-14-23)19-9-4-5-10-20(19)25-2/h4-10,15,17H,3,11-14H2,1-2H3,(H,22,24)
InChIKeyYJADBBQRGQSJQY-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
CID 3261302
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
methyl 4-[[4-(2-methoxyphenyl)piperidine-1-carbothioyl]amino]benzoate
CID 3779210

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 23763777) is N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide is CCc1cccc(NC(=O)N2CCC(c3ccccc3OC)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is YJADBBQRGQSJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-7-6-8-18(15-16)22-21(24)23-13-11-17(12-14-23)19-9-4-5-10-20(19)25-2/h4-10,15,17H,3,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 23763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).