1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

C24H31N3O2 — CID 55789576

IUPAC1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCN(C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-14-19(2)16-21(15-18)24(29)27-12-7-8-20(17-27)23(28)25-11-13-26(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20H,7-8,11-13,17H2,1-3H3,(H,25,28)
InChIKeyOEGDCBITLFYXPP-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.41
Rot. Bonds6

About 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 55789576) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
PubChem CID55789576
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCN(C)c3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-14-19(2)16-21(15-18)24(29)27-12-7-8-20(17-27)23(28)25-11-13-26(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20H,7-8,11-13,17H2,1-3H3,(H,25,28)
InChIKeyOEGDCBITLFYXPP-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (CID 55789576) is 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCN(C)c3ccccc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is OEGDCBITLFYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-14-19(2)16-21(15-18)24(29)27-12-7-8-20(17-27)23(28)25-11-13-26(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20H,7-8,11-13,17H2,1-3H3,(H,25,28).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55789576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).