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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Related Compounds

1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]piperidine-4-carboxamide
CID 141484403
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide;dihydrochloride
CID 154701628
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
CID 141232304
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4,6-trimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91021281
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 139989161
N-[3-[(3aR,6aS)-5-(2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 58782534
1-acetyl-N-(3,4-dimethylphenyl)-N-[3-[(1R,5S)-3-(2-methyl-5-methylsulfanyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]piperidine-4-carboxamide
CID 143350192
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[3-(methanesulfonamido)-8-azabicyclo[3.2.1]octan-8-yl]propyl]piperidine-4-carboxamide
CID 45378157
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4,6-trifluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 90752169
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
CID 139898814
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide
CID 166398758
1-acetyl-N-[3-[5-(2-bromobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 91233200

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).