(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone

C22H27N3O — CID 55584701

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H27N3O/c1-17-20(11-12-21(23-17)18-7-3-2-4-8-18)22(26)25-15-13-24(14-16-25)19-9-5-6-10-19/h2-4,7-8,11-12,19H,5-6,9-10,13-16H2,1H3
InChIKeySGGXJDAXERAYBH-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.76
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone (PubChem CID 55584701) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
PubChem CID55584701
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H27N3O/c1-17-20(11-12-21(23-17)18-7-3-2-4-8-18)22(26)25-15-13-24(14-16-25)19-9-5-6-10-19/h2-4,7-8,11-12,19H,5-6,9-10,13-16H2,1H3
InChIKeySGGXJDAXERAYBH-UHFFFAOYSA-N
XLogP3.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584860
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 98176880
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone (CID 55584701) is (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The InChIKey is SGGXJDAXERAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-20(11-12-21(23-17)18-7-3-2-4-8-18)22(26)25-15-13-24(14-16-25)19-9-5-6-10-19/h2-4,7-8,11-12,19H,5-6,9-10,13-16H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 55584701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).