3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C20H30N2O2 — CID 53117136

IUPAC3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCN(C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-15(2)12-18(23)22-11-5-10-20(4,14-22)19(24)21-13-17-8-6-16(3)7-9-17/h6-9,15H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyYPAPJDOBSBBJLT-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53117136) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53117136
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCN(C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-15(2)12-18(23)22-11-5-10-20(4,14-22)19(24)21-13-17-8-6-16(3)7-9-17/h6-9,15H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyYPAPJDOBSBBJLT-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2838082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 53117136) is 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)CC(C)C)C2)cc1.
What is the InChIKey of 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YPAPJDOBSBBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)12-18(23)22-11-5-10-20(4,14-22)19(24)21-13-17-8-6-16(3)7-9-17/h6-9,15H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53117136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).