3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

C19H28N2O — CID 2892125

IUPAC3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28N2O/c1-14(2)16-9-6-10-17(12-16)19(4,5)20-18(22)21-11-7-8-15(3)13-21/h6,9-10,12,15H,1,7-8,11,13H2,2-5H3,(H,20,22)
InChIKeyCMDYEKITQVIURG-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.40
Rot. Bonds3

About 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 2892125) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID2892125
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28N2O/c1-14(2)16-9-6-10-17(12-16)19(4,5)20-18(22)21-11-7-8-15(3)13-21/h6,9-10,12,15H,1,7-8,11,13H2,2-5H3,(H,20,22)
InChIKeyCMDYEKITQVIURG-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (3S)-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperidine-3-carboxylate
CID 2327071
4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 3857182
4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 110314986
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
4-(furan-2-ylmethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 4679696
4-[2-(2,6-diethylanilino)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 5005899
1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 19168372
4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110659099
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 74228568
cyclopropylmethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22966825
N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
CID 105060539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (CID 2892125) is 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is CMDYEKITQVIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)16-9-6-10-17(12-16)19(4,5)20-18(22)21-11-7-8-15(3)13-21/h6,9-10,12,15H,1,7-8,11,13H2,2-5H3,(H,20,22).
What are the key properties of 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 2892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).