1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one

C22H27N5O — CID 133390815

IUPAC1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCN1CC1CCCC1
InChIInChI=1S/C22H27N5O/c28-20-15-27(13-12-26(20)14-16-6-1-2-7-16)22-17-8-5-10-18(17)24-21(25-22)19-9-3-4-11-23-19/h3-4,9,11,16H,1-2,5-8,10,12-15H2
InChIKeyQYQJDVKOIHXCQI-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.87
Rot. Bonds4

About 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one

1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 133390815) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
PubChem CID133390815
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCN1CC1CCCC1
InChIInChI=1S/C22H27N5O/c28-20-15-27(13-12-26(20)14-16-6-1-2-7-16)22-17-8-5-10-18(17)24-21(25-22)19-9-3-4-11-23-19/h3-4,9,11,16H,1-2,5-8,10,12-15H2
InChIKeyQYQJDVKOIHXCQI-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020
2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133412721
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133336812
1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one
CID 157030319
1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75372045
cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498856
N-ethyl-N-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 86806537
2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133455675
2-cyclopropyl-1-methyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 167968512
(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 96528652
(5aR,8aR)-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 100574070
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861041

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one (CID 133390815) is 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is O=C1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is QYQJDVKOIHXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-20-15-27(13-12-26(20)14-16-6-1-2-7-16)22-17-8-5-10-18(17)24-21(25-22)19-9-3-4-11-23-19/h3-4,9,11,16H,1-2,5-8,10,12-15H2.
What are the key properties of 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one?
1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 133390815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).