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

C23H28N2O2 — CID 119069998

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
SMILESCCOc1ccc(-c2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-27-22-10-8-19(9-11-22)20-4-3-5-21(16-20)23(26)25-14-12-24(13-15-25)17-18-6-7-18/h3-5,8-11,16,18H,2,6-7,12-15,17H2,1H3
InChIKeyDKJVBLWLUDCNGB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.92
Rot. Bonds6

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

[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone (PubChem CID 119069998) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
PubChem CID119069998
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
SMILESCCOc1ccc(-c2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-27-22-10-8-19(9-11-22)20-4-3-5-21(16-20)23(26)25-14-12-24(13-15-25)17-18-6-7-18/h3-5,8-11,16,18H,2,6-7,12-15,17H2,1H3
InChIKeyDKJVBLWLUDCNGB-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95751596
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55902036
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone (CID 119069998) is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone is CCOc1ccc(-c2cccc(C(=O)N3CCN(CC4CC4)CC3)c2)cc1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone?
The InChIKey is DKJVBLWLUDCNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-27-22-10-8-19(9-11-22)20-4-3-5-21(16-20)23(26)25-14-12-24(13-15-25)17-18-6-7-18/h3-5,8-11,16,18H,2,6-7,12-15,17H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.92, 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-(4-ethoxyphenyl)phenyl]methanone is sourced from PubChem (CID 119069998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).