cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone

C10H18N2O — CID 81427984

IUPACcyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCC2)CCN1
InChIInChI=1S/C10H18N2O/c1-8-7-12(6-5-11-8)10(13)9-3-2-4-9/h8-9,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFBRJBDMLMLTNG-MRVPVSSYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone

cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81427984) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81427984
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namecyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCC2)CCN1
InChIInChI=1S/C10H18N2O/c1-8-7-12(6-5-11-8)10(13)9-3-2-4-9/h8-9,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFBRJBDMLMLTNG-MRVPVSSYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81427984) is cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CCC2)CCN1.
What is the InChIKey of cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is LFBRJBDMLMLTNG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-7-12(6-5-11-8)10(13)9-3-2-4-9/h8-9,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone?
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81427984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).