(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H28N2O4 — CID 110657793

IUPAC(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-16-14-24(11-10-23(16)15-17-8-6-5-7-9-17)22(25)18-12-19(26-2)21(28-4)20(13-18)27-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3
InChIKeyOKIJZMXVKDYGNB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.06
Rot. Bonds6

About (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110657793) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110657793
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-16-14-24(11-10-23(16)15-17-8-6-5-7-9-17)22(25)18-12-19(26-2)21(28-4)20(13-18)27-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3
InChIKeyOKIJZMXVKDYGNB-UHFFFAOYSA-N
XLogP3.06
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110657793) is (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)C2)cc(OC)c1OC.
What is the InChIKey of (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OKIJZMXVKDYGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-14-24(11-10-23(16)15-17-8-6-5-7-9-17)22(25)18-12-19(26-2)21(28-4)20(13-18)27-3/h5-9,12-13,16H,10-11,14-15H2,1-4H3.
What are the key properties of (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110657793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).