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

C22H28N4O — CID 1080842

IUPACN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27)
InChIKeyMJMOHJSPVSETBC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.88
Rot. Bonds4

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

N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 1080842) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID1080842
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27)
InChIKeyMJMOHJSPVSETBC-UHFFFAOYSA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 1080842) is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is MJMOHJSPVSETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27).
What are the key properties of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 1080842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).