3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide

C16H24N2O — CID 47199347

IUPAC3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-4-8-15(10-14)17-16(19)18-9-5-6-13(3)11-18/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19)
InChIKeySYTZYZZZWBMRPE-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.07
Rot. Bonds2

About 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide

3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 47199347) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID47199347
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-4-8-15(10-14)17-16(19)18-9-5-6-13(3)11-18/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19)
InChIKeySYTZYZZZWBMRPE-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
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3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
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3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide (CID 47199347) is 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide is CC1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1.
What is the InChIKey of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is SYTZYZZZWBMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-7-4-8-15(10-14)17-16(19)18-9-5-6-13(3)11-18/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide?
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 47199347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).