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

C19H27N3O2 — CID 748213

IUPAC1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-13(2)15-6-5-7-16(12-15)19(3,4)21-18(24)22-10-8-14(9-11-22)17(20)23/h5-7,12,14H,1,8-11H2,2-4H3,(H2,20,23)(H,21,24)
InChIKeyKNJSVUIOPBFMMJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.86
Rot. Bonds4

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

1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 748213) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
PubChem CID748213
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-13(2)15-6-5-7-16(12-15)19(3,4)21-18(24)22-10-8-14(9-11-22)17(20)23/h5-7,12,14H,1,8-11H2,2-4H3,(H2,20,23)(H,21,24)
InChIKeyKNJSVUIOPBFMMJ-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide (CID 748213) is 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is KNJSVUIOPBFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)15-6-5-7-16(12-15)19(3,4)21-18(24)22-10-8-14(9-11-22)17(20)23/h5-7,12,14H,1,8-11H2,2-4H3,(H2,20,23)(H,21,24).
What are the key properties of 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 748213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).