1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide

C17H24N2O2 — CID 84546564

IUPAC1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-12-5-6-15(13(2)11-12)17(21)19-9-7-14(8-10-19)16(20)18(3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyIVMKCRGHCDQUKI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide

1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 84546564) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID84546564
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-12-5-6-15(13(2)11-12)17(21)19-9-7-14(8-10-19)16(20)18(3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyIVMKCRGHCDQUKI-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65309546
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4-dimethylphenyl)methanone
CID 81483355
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide (CID 84546564) is 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is IVMKCRGHCDQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-6-15(13(2)11-12)17(21)19-9-7-14(8-10-19)16(20)18(3)4/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 84546564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).