[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C20H25N5O2 — CID 109249260

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-10-12-25(13-11-23)20-21-14-16(15-22-20)19(26)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyKKDNVPLUVJMZPX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.05
Rot. Bonds4

About [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249260) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249260
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-10-12-25(13-11-23)20-21-14-16(15-22-20)19(26)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyKKDNVPLUVJMZPX-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

Analyze [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109262038
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone
CID 91948945
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109253522
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249260) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1N1CCN(c2ncc(C(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KKDNVPLUVJMZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-7-3-2-6-17(18)23-10-12-25(13-11-23)20-21-14-16(15-22-20)19(26)24-8-4-5-9-24/h2-3,6-7,14-15H,4-5,8-13H2,1H3.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone 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 [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).