(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone

C23H30N2O3 — CID 110393968

IUPAC(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1
InChIInChI=1S/C23H30N2O3/c1-17-15-24(23(26)20-12-21(27-3)14-22(13-20)28-4)16-18(2)25(17)11-10-19-8-6-5-7-9-19/h5-9,12-14,17-18H,10-11,15-16H2,1-4H3
InChIKeyHEOXTRXBFGBUHZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.48
Rot. Bonds6

About (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 110393968) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID110393968
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1
InChIInChI=1S/C23H30N2O3/c1-17-15-24(23(26)20-12-21(27-3)14-22(13-20)28-4)16-18(2)25(17)11-10-19-8-6-5-7-9-19/h5-9,12-14,17-18H,10-11,15-16H2,1-4H3
InChIKeyHEOXTRXBFGBUHZ-UHFFFAOYSA-N
XLogP3.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 110658291
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
4-[3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110658310
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 110657689
[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 110413017
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
[(3aR,8aR)-1,1-dioxo-2-(2-phenylethyl)-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(3-methoxyphenyl)methanone
CID 97441001

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone (CID 110393968) is (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is HEOXTRXBFGBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-15-24(23(26)20-12-21(27-3)14-22(13-20)28-4)16-18(2)25(17)11-10-19-8-6-5-7-9-19/h5-9,12-14,17-18H,10-11,15-16H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 382.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110393968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).