(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone

C11H20N2O — CID 102611992

IUPAC(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2(C)C)CCN1
InChIInChI=1S/C11H20N2O/c1-8-7-13(5-4-12-8)10(14)9-6-11(9,2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyKVVGBLVAGJOPIW-IENPIDJESA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds1

About (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone

(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 102611992) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID102611992
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2(C)C)CCN1
InChIInChI=1S/C11H20N2O/c1-8-7-13(5-4-12-8)10(14)9-6-11(9,2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyKVVGBLVAGJOPIW-IENPIDJESA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 104872314
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 102611992) is (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)C2CC2(C)C)CCN1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is KVVGBLVAGJOPIW-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-7-13(5-4-12-8)10(14)9-6-11(9,2)3/h8-9,12H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 196.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 102611992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).