[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone

C19H21N3O — CID 755491

IUPAC[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2
InChIKeyMRFMFSULFIYLMW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.55
Rot. Bonds4

About [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 755491) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID755491
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2
InChIKeyMRFMFSULFIYLMW-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 138807579
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109223817
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(4-amino-3-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854677
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940770
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(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
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 755491) is [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is MRFMFSULFIYLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2.
What are the key properties of [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 307.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 755491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).