N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine

C22H31N3 — CID 139549051

IUPACN-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CC(=C)N1C(=C)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H31N3/c1-5-13-23-18(3)22-15-17(2)25(22)19(4)24-14-9-12-21(16-24)20-10-7-6-8-11-20/h6-8,10-11,21-23H,2-5,9,12-16H2,1H3
InChIKeyORHTVTIZVASBIT-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.44
Rot. Bonds7

About N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine

N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine (PubChem CID 139549051) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine
PubChem CID139549051
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC NameN-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine
SMILESC=C(NCCC)C1CC(=C)N1C(=C)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H31N3/c1-5-13-23-18(3)22-15-17(2)25(22)19(4)24-14-9-12-21(16-24)20-10-7-6-8-11-20/h6-8,10-11,21-23H,2-5,9,12-16H2,1H3
InChIKeyORHTVTIZVASBIT-UHFFFAOYSA-N
XLogP4.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine 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 N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine?
The IUPAC name of N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine (CID 139549051) is N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine is C=C(NCCC)C1CC(=C)N1C(=C)N1CCCC(c2ccccc2)C1.
What is the InChIKey of N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine?
The InChIKey is ORHTVTIZVASBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-5-13-23-18(3)22-15-17(2)25(22)19(4)24-14-9-12-21(16-24)20-10-7-6-8-11-20/h6-8,10-11,21-23H,2-5,9,12-16H2,1H3.
What are the key properties of N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine?
N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methylidene-1-[1-(3-phenylpiperidin-1-yl)ethenyl]azetidin-2-yl]ethenyl]propan-1-amine is sourced from PubChem (CID 139549051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).