1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide

C19H28N2O2 — CID 142875608

IUPAC1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(C)=O)CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-5-10-21(18-7-6-14(2)15(3)13-18)19(23)17-8-11-20(12-9-17)16(4)22/h6-7,13,17H,5,8-12H2,1-4H3
InChIKeyARXYMCOQGLGIBB-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.30
Rot. Bonds4

About 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide

1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide (PubChem CID 142875608) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide
PubChem CID142875608
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(C)=O)CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-5-10-21(18-7-6-14(2)15(3)13-18)19(23)17-8-11-20(12-9-17)16(4)22/h6-7,13,17H,5,8-12H2,1-4H3
InChIKeyARXYMCOQGLGIBB-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide (CID 142875608) is 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(C(C)=O)CC1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is ARXYMCOQGLGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-10-21(18-7-6-14(2)15(3)13-18)19(23)17-8-11-20(12-9-17)16(4)22/h6-7,13,17H,5,8-12H2,1-4H3.
What are the key properties of 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide?
1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 142875608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).