[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C24H32N4O — CID 109174503

IUPAC[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C24H32N4O/c1-3-4-14-26(2)23-20-22(12-13-25-23)24(29)28-18-16-27(17-19-28)15-8-11-21-9-6-5-7-10-21/h5-13,20H,3-4,14-19H2,1-2H3/b11-8+
InChIKeyBCTZEGQIYZTGHV-DHZHZOJOSA-N
MW392.55 g/mol
LogP3.79
Rot. Bonds8

About [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 109174503) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID109174503
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C24H32N4O/c1-3-4-14-26(2)23-20-22(12-13-25-23)24(29)28-18-16-27(17-19-28)15-8-11-21-9-6-5-7-10-21/h5-13,20H,3-4,14-19H2,1-2H3/b11-8+
InChIKeyBCTZEGQIYZTGHV-DHZHZOJOSA-N
XLogP3.79
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-[butyl(methyl)amino]-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109238542
ethyl 4-[2-[butyl(methyl)amino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174252
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166166
[3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42660444

Frequently Asked Questions

What is the IUPAC name of [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 109174503) is [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is CCCCN(C)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccn1.
What is the InChIKey of [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is BCTZEGQIYZTGHV-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H32N4O/c1-3-4-14-26(2)23-20-22(12-13-25-23)24(29)28-18-16-27(17-19-28)15-8-11-21-9-6-5-7-10-21/h5-13,20H,3-4,14-19H2,1-2H3/b11-8+.
What are the key properties of [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 392.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109174503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).