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

C24H31N3O2 — CID 1328402

IUPAC4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-18(2)19-9-8-10-20(17-19)24(3,4)25-23(28)27-15-13-26(14-16-27)21-11-6-7-12-22(21)29-5/h6-12,17H,1,13-16H2,2-5H3,(H,25,28)
InChIKeyPCDBTVJKQDGUJA-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.50
Rot. Bonds5

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

4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 1328402) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
PubChem CID1328402
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-18(2)19-9-8-10-20(17-19)24(3,4)25-23(28)27-15-13-26(14-16-27)21-11-6-7-12-22(21)29-5/h6-12,17H,1,13-16H2,2-5H3,(H,25,28)
InChIKeyPCDBTVJKQDGUJA-UHFFFAOYSA-N
XLogP4.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (CID 1328402) is 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is PCDBTVJKQDGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)19-9-8-10-20(17-19)24(3,4)25-23(28)27-15-13-26(14-16-27)21-11-6-7-12-22(21)29-5/h6-12,17H,1,13-16H2,2-5H3,(H,25,28).
What are the key properties of 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 1328402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).