[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C22H26N4O — CID 109223817

IUPAC[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c27-22(19-15-21(17-23-16-19)24-20-8-9-20)26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-7,15-17,20,24H,8-14H2/b7-4+
InChIKeyJFUVEXXNHUZORQ-QPJJXVBHSA-N
MW362.48 g/mol
LogP3.13
Rot. Bonds6

About [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 109223817) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID109223817
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c27-22(19-15-21(17-23-16-19)24-20-8-9-20)26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-7,15-17,20,24H,8-14H2/b7-4+
InChIKeyJFUVEXXNHUZORQ-QPJJXVBHSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
[5-[butyl(methyl)amino]-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109238542
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739
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

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 109223817) is [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1cncc(NC2CC2)c1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is JFUVEXXNHUZORQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(19-15-21(17-23-16-19)24-20-8-9-20)26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-7,15-17,20,24H,8-14H2/b7-4+.
What are the key properties of [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109223817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).