cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone

C19H24N2O2 — CID 75369417

IUPACcyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N2O2/c22-17(15-5-4-6-15)20-11-13-21(14-12-20)18(23)19(9-10-19)16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2
InChIKeyGTKGUZYNMVCTBA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.19
Rot. Bonds3

About cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone

cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 75369417) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID75369417
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namecyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N2O2/c22-17(15-5-4-6-15)20-11-13-21(14-12-20)18(23)19(9-10-19)16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2
InChIKeyGTKGUZYNMVCTBA-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone (CID 75369417) is cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is GTKGUZYNMVCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-17(15-5-4-6-15)20-11-13-21(14-12-20)18(23)19(9-10-19)16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2.
What are the key properties of cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 312.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75369417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).