(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride

C11H21ClN2O — CID 130747809

IUPAC(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
SMILESCC1CC(C(=O)N2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-5-10(6-8)11(14)13-4-3-12-9(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9-,10?;/m0./s1
InChIKeyWPFQSQPLQWWKQZ-WUWPOBJPSA-N
MW232.75 g/mol
LogP1.27
Rot. Bonds1

About (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride

(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 130747809) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
PubChem CID130747809
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
SMILESCC1CC(C(=O)N2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-5-10(6-8)11(14)13-4-3-12-9(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9-,10?;/m0./s1
InChIKeyWPFQSQPLQWWKQZ-WUWPOBJPSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride (CID 130747809) is (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride is CC1CC(C(=O)N2CCN[C@@H](C)C2)C1.Cl.
What is the InChIKey of (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is WPFQSQPLQWWKQZ-WUWPOBJPSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-8-5-10(6-8)11(14)13-4-3-12-9(2)7-13;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9-,10?;/m0./s1.
What are the key properties of (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 130747809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).