[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone

C23H28N2O2 — CID 55890801

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
SMILESCc1cccc(COc2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)c1
InChIInChI=1S/C23H28N2O2/c1-18-4-2-5-20(14-18)17-27-22-7-3-6-21(15-22)23(26)25-12-10-24(11-13-25)16-19-8-9-19/h2-7,14-15,19H,8-13,16-17H2,1H3
InChIKeyUPCSGSQWNUDTPR-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.74
Rot. Bonds6

About [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone (PubChem CID 55890801) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
PubChem CID55890801
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
SMILESCc1cccc(COc2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)c1
InChIInChI=1S/C23H28N2O2/c1-18-4-2-5-20(14-18)17-27-22-7-3-6-21(15-22)23(26)25-12-10-24(11-13-25)16-19-8-9-19/h2-7,14-15,19H,8-13,16-17H2,1H3
InChIKeyUPCSGSQWNUDTPR-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone with MolForge

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Related Compounds

1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325261
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325225
[3-[(4-bromophenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325231
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-[(4-nitrophenoxy)methyl]phenyl]methanone
CID 19325302
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 55956856
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone (CID 55890801) is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone is Cc1cccc(COc2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)c1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone?
The InChIKey is UPCSGSQWNUDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-4-2-5-20(14-18)17-27-22-7-3-6-21(15-22)23(26)25-12-10-24(11-13-25)16-19-8-9-19/h2-7,14-15,19H,8-13,16-17H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 55890801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).