[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone

C24H30N4O — CID 109166166

IUPAC[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H30N4O/c29-24(28-14-5-2-6-15-28)22-11-12-25-23(20-22)27-18-16-26(17-19-27)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/b10-7+
InChIKeyLYHJEQGDKAPVGP-JXMROGBWSA-N
MW390.53 g/mol
LogP3.54
Rot. Bonds5

About [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone

[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109166166) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109166166
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H30N4O/c29-24(28-14-5-2-6-15-28)22-11-12-25-23(20-22)27-18-16-26(17-19-27)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/b10-7+
InChIKeyLYHJEQGDKAPVGP-JXMROGBWSA-N
XLogP3.54
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone (CID 109166166) is [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)c1)N1CCCCC1.
What is the InChIKey of [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is LYHJEQGDKAPVGP-JXMROGBWSA-N. The full InChI is InChI=1S/C24H30N4O/c29-24(28-14-5-2-6-15-28)22-11-12-25-23(20-22)27-18-16-26(17-19-27)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/b10-7+.
What are the key properties of [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 390.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109166166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).