(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone

C21H27N5O2 — CID 56894068

IUPAC(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C21H27N5O2/c1-28-19-7-3-2-6-18(19)20(27)25-12-10-24(11-13-25)16-17-14-22-21(23-15-17)26-8-4-5-9-26/h2-3,6-7,14-15H,4-5,8-13,16H2,1H3
InChIKeyDVPLOPDBPKQJOL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.04
Rot. Bonds5

About (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 56894068) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID56894068
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C21H27N5O2/c1-28-19-7-3-2-6-18(19)20(27)25-12-10-24(11-13-25)16-17-14-22-21(23-15-17)26-8-4-5-9-26/h2-3,6-7,14-15H,4-5,8-13,16H2,1H3
InChIKeyDVPLOPDBPKQJOL-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

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CID 56912164
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[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
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[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 56894959
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
(2-methoxyphenyl)-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]piperazin-1-yl]methanone
CID 24736924
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(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone (CID 56894068) is (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(Cc2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is DVPLOPDBPKQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-19-7-3-2-6-18(19)20(27)25-12-10-24(11-13-25)16-17-14-22-21(23-15-17)26-8-4-5-9-26/h2-3,6-7,14-15H,4-5,8-13,16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56894068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).