(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

C21H25N3O — CID 110103059

IUPAC(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cnccn2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25N3O/c25-20(21(10-4-5-11-21)18-6-2-1-3-7-18)24-14-8-17(9-15-24)19-16-22-12-13-23-19/h1-3,6-7,12-13,16-17H,4-5,8-11,14-15H2
InChIKeyDSHSUOFQWWYISP-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.69
Rot. Bonds3

About (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 110103059) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID110103059
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cnccn2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25N3O/c25-20(21(10-4-5-11-21)18-6-2-1-3-7-18)24-14-8-17(9-15-24)19-16-22-12-13-23-19/h1-3,6-7,12-13,16-17H,4-5,8-11,14-15H2
InChIKeyDSHSUOFQWWYISP-UHFFFAOYSA-N
XLogP3.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 110092580
[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 21066131
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 99699860
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583941
3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669188

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (CID 110103059) is (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is O=C(N1CCC(c2cnccn2)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is DSHSUOFQWWYISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(21(10-4-5-11-21)18-6-2-1-3-7-18)24-14-8-17(9-15-24)19-16-22-12-13-23-19/h1-3,6-7,12-13,16-17H,4-5,8-11,14-15H2.
What are the key properties of (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110103059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).