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

C19H28N2O — CID 875656

IUPAC4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-14(2)16-7-6-8-17(13-16)19(4,5)20-18(22)21-11-9-15(3)10-12-21/h6-8,13,15H,1,9-12H2,2-5H3,(H,20,22)
InChIKeyUXMILQYVPBMWPZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.40
Rot. Bonds3

About 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 875656) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID875656
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-14(2)16-7-6-8-17(13-16)19(4,5)20-18(22)21-11-9-15(3)10-12-21/h6-8,13,15H,1,9-12H2,2-5H3,(H,20,22)
InChIKeyUXMILQYVPBMWPZ-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (CID 875656) is 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-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)N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is UXMILQYVPBMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)16-7-6-8-17(13-16)19(4,5)20-18(22)21-11-9-15(3)10-12-21/h6-8,13,15H,1,9-12H2,2-5H3,(H,20,22).
What are the key properties of 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
4-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 4-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 875656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).