1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

C18H26N2O2 — CID 110795075

IUPAC1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-16(12-14(13)2)6-9-19-18(22)17-7-10-20(11-8-17)15(3)21/h4-5,12,17H,6-11H2,1-3H3,(H,19,22)
InChIKeyJRNGEJJSSGGGKR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.22
Rot. Bonds4

About 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 110795075) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID110795075
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-16(12-14(13)2)6-9-19-18(22)17-7-10-20(11-8-17)15(3)21/h4-5,12,17H,6-11H2,1-3H3,(H,19,22)
InChIKeyJRNGEJJSSGGGKR-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18190934
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (CID 110795075) is 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JRNGEJJSSGGGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-5-16(12-14(13)2)6-9-19-18(22)17-7-10-20(11-8-17)15(3)21/h4-5,12,17H,6-11H2,1-3H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110795075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).