cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone

C18H26N2O2 — CID 110358229

IUPACcyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CCCN2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-6-2-4-15(14-17)5-3-9-19-10-12-20(13-11-19)18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3
InChIKeyXJZNGPGXZXZYQI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.18
Rot. Bonds6

About cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone

cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone (PubChem CID 110358229) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
PubChem CID110358229
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CCCN2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-6-2-4-15(14-17)5-3-9-19-10-12-20(13-11-19)18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3
InChIKeyXJZNGPGXZXZYQI-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
CID 170863719
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 165422363
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone (CID 110358229) is cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone is COc1cccc(CCCN2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone?
The InChIKey is XJZNGPGXZXZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-6-2-4-15(14-17)5-3-9-19-10-12-20(13-11-19)18(21)16-7-8-16/h2,4,6,14,16H,3,5,7-13H2,1H3.
What are the key properties of cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110358229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).