N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide

C19H28N2O2 — CID 113006355

IUPACN-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C19H28N2O2/c1-4-5-6-18(22)21-11-9-16(10-12-21)19(23)20-17-8-7-14(2)13-15(17)3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23)
InChIKeyGNVDIVVBBHHOBV-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.67
Rot. Bonds5

About N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide (PubChem CID 113006355) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
PubChem CID113006355
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C19H28N2O2/c1-4-5-6-18(22)21-11-9-16(10-12-21)19(23)20-17-8-7-14(2)13-15(17)3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23)
InChIKeyGNVDIVVBBHHOBV-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide (CID 113006355) is N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide is CCCCC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide?
The InChIKey is GNVDIVVBBHHOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-5-6-18(22)21-11-9-16(10-12-21)19(23)20-17-8-7-14(2)13-15(17)3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113006355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).