[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

C20H24N4O2 — CID 53192932

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H24N4O2/c1-2-26-18-9-4-3-6-16(18)20(25)24-12-10-23(11-13-24)19-15-7-5-8-17(15)21-14-22-19/h3-4,6,9,14H,2,5,7-8,10-13H2,1H3
InChIKeyIZXYSZXUMMULLB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.33
Rot. Bonds4

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

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 53192932) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID53192932
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H24N4O2/c1-2-26-18-9-4-3-6-16(18)20(25)24-12-10-23(11-13-24)19-15-7-5-8-17(15)21-14-22-19/h3-4,6,9,14H,2,5,7-8,10-13H2,1H3
InChIKeyIZXYSZXUMMULLB-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone with MolForge

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Related Compounds

1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 16811315
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 143606979
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(3-ethoxynaphthalen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17458593
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone (CID 53192932) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is IZXYSZXUMMULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-18-9-4-3-6-16(18)20(25)24-12-10-23(11-13-24)19-15-7-5-8-17(15)21-14-22-19/h3-4,6,9,14H,2,5,7-8,10-13H2,1H3.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 352.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 53192932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).