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

C18H24N6O2 — CID 127478959

IUPAC1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCn3ncnn3)C2)c1
InChIInChI=1S/C18H24N6O2/c1-13-8-14(2)10-16(9-13)18(26)23-6-3-4-15(11-23)17(25)19-5-7-24-21-12-20-22-24/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,25)
InChIKeyRJOHKMFSNPLZNT-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.96
Rot. Bonds5

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

1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 127478959) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID127478959
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCn3ncnn3)C2)c1
InChIInChI=1S/C18H24N6O2/c1-13-8-14(2)10-16(9-13)18(26)23-6-3-4-15(11-23)17(25)19-5-7-24-21-12-20-22-24/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,25)
InChIKeyRJOHKMFSNPLZNT-UHFFFAOYSA-N
XLogP0.96
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119391295
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide (CID 127478959) is 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCCn3ncnn3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is RJOHKMFSNPLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-8-14(2)10-16(9-13)18(26)23-6-3-4-15(11-23)17(25)19-5-7-24-21-12-20-22-24/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,25).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 127478959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).