[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

C27H28N2O3 — CID 19323262

IUPAC[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C27H28N2O3/c1-20-10-12-22(13-11-20)26(30)24-8-3-4-9-25(24)27(31)29-16-14-28(15-17-29)19-21-6-5-7-23(18-21)32-2/h3-13,18H,14-17,19H2,1-2H3
InChIKeyJGRLKSKAZVXRCU-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.19
Rot. Bonds6

About [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 19323262) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
PubChem CID19323262
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C27H28N2O3/c1-20-10-12-22(13-11-20)26(30)24-8-3-4-9-25(24)27(31)29-16-14-28(15-17-29)19-21-6-5-7-23(18-21)32-2/h3-13,18H,14-17,19H2,1-2H3
InChIKeyJGRLKSKAZVXRCU-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
[4-[(2,6-dimethylphenoxy)methyl]phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323232
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-3,5-dinitrophenyl)methanone
CID 166400929
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323221

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (CID 19323262) is [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is COc1cccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is JGRLKSKAZVXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-20-10-12-22(13-11-20)26(30)24-8-3-4-9-25(24)27(31)29-16-14-28(15-17-29)19-21-6-5-7-23(18-21)32-2/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 428.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 19323262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).