(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine

C22H30N4 — CID 71030514

IUPAC(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine
SMILESC/C=C(\NCC(C)c1ccccc1)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C22H30N4/c1-4-21(23-16-18(2)19-8-6-5-7-9-19)20-10-11-22(24-17-20)26-14-12-25(3)13-15-26/h4-11,17-18,23H,12-16H2,1-3H3/b21-4-
InChIKeyUAEHONJALRMLPS-IGLQUIOVSA-N
MW350.51 g/mol
LogP3.59
Rot. Bonds6

About (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine

(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine (PubChem CID 71030514) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine
PubChem CID71030514
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine
SMILESC/C=C(\NCC(C)c1ccccc1)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C22H30N4/c1-4-21(23-16-18(2)19-8-6-5-7-9-19)20-10-11-22(24-17-20)26-14-12-25(3)13-15-26/h4-11,17-18,23H,12-16H2,1-3H3/b21-4-
InChIKeyUAEHONJALRMLPS-IGLQUIOVSA-N
XLogP3.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride
CID 174353853
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984
6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 28775051
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
1-ethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704070
N-(2-amino-2-phenylethyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 119528228
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine (CID 71030514) is (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine is C/C=C(\NCC(C)c1ccccc1)c1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine?
The InChIKey is UAEHONJALRMLPS-IGLQUIOVSA-N. The full InChI is InChI=1S/C22H30N4/c1-4-21(23-16-18(2)19-8-6-5-7-9-19)20-10-11-22(24-17-20)26-14-12-25(3)13-15-26/h4-11,17-18,23H,12-16H2,1-3H3/b21-4-.
What are the key properties of (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine?
(Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine has a molecular weight of 350.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-phenylpropyl)prop-1-en-1-amine is sourced from PubChem (CID 71030514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).