[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C20H25N5O2 — CID 109297521

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-12-14-24(15-13-23)19(26)16-8-9-21-20(22-16)25-10-4-5-11-25/h2-3,6-9H,4-5,10-15H2,1H3
InChIKeyUWLRJIYRRLAVGG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.05
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109297521) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109297521
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-12-14-24(15-13-23)19(26)16-8-9-21-20(22-16)25-10-4-5-11-25/h2-3,6-9H,4-5,10-15H2,1H3
InChIKeyUWLRJIYRRLAVGG-UHFFFAOYSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 109297521) is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is COc1ccccc1N1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is UWLRJIYRRLAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-12-14-24(15-13-23)19(26)16-8-9-21-20(22-16)25-10-4-5-11-25/h2-3,6-9H,4-5,10-15H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109297521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).