(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone

C18H24N2O2 — CID 71878323

IUPAC(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1cccc(C2CC2C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-22-15-4-2-3-13(11-15)16-12-17(16)18(21)20-9-7-19(8-10-20)14-5-6-14/h2-4,11,14,16-17H,5-10,12H2,1H3
InChIKeyLESZWOVBSINWMF-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.11
Rot. Bonds4

About (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone

(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone (PubChem CID 71878323) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
PubChem CID71878323
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1cccc(C2CC2C(=O)N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-22-15-4-2-3-13(11-15)16-12-17(16)18(21)20-9-7-19(8-10-20)14-5-6-14/h2-4,11,14,16-17H,5-10,12H2,1H3
InChIKeyLESZWOVBSINWMF-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979232
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
CID 151018806
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
[2-(4-chlorophenyl)cyclopropyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297403
[4-[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-cyclobutylmethanone;dihydrochloride
CID 154898067
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone (CID 71878323) is (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone is COc1cccc(C2CC2C(=O)N2CCN(C3CC3)CC2)c1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is LESZWOVBSINWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-15-4-2-3-13(11-15)16-12-17(16)18(21)20-9-7-19(8-10-20)14-5-6-14/h2-4,11,14,16-17H,5-10,12H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 300.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 71878323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).