(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone

C21H26N2O2 — CID 6422948

IUPAC(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12H,7,10,13-17H2,1H3
InChIKeyXDQDCNVTPLRQQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.09
Rot. Bonds6

About (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone (PubChem CID 6422948) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
PubChem CID6422948
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12H,7,10,13-17H2,1H3
InChIKeyXDQDCNVTPLRQQQ-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
(2,3-dihydroxyphenyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone
CID 70764595
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
CID 63336323
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone (CID 6422948) is (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The InChIKey is XDQDCNVTPLRQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12H,7,10,13-17H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 6422948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).