1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

C22H27N3O2 — CID 55823393

IUPAC1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCc3cccnc3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-16-11-17(2)13-20(12-16)22(27)25-10-4-6-19(15-25)21(26)24-9-7-18-5-3-8-23-14-18/h3,5,8,11-14,19H,4,6-7,9-10,15H2,1-2H3,(H,24,26)
InChIKeyZMZSHLPKOUYFIO-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.91
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 55823393) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID55823393
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCc3cccnc3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-16-11-17(2)13-20(12-16)22(27)25-10-4-6-19(15-25)21(26)24-9-7-18-5-3-8-23-14-18/h3,5,8,11-14,19H,4,6-7,9-10,15H2,1-2H3,(H,24,26)
InChIKeyZMZSHLPKOUYFIO-UHFFFAOYSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.91
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-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(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
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
1-(furan-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3620848
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55853347
1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
CID 127478959
(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 55823393) is 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCc3cccnc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is ZMZSHLPKOUYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-11-17(2)13-20(12-16)22(27)25-10-4-6-19(15-25)21(26)24-9-7-18-5-3-8-23-14-18/h3,5,8,11-14,19H,4,6-7,9-10,15H2,1-2H3,(H,24,26).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.91, 5 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-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55823393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).