(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

C11H20N2O — CID 130679550

IUPAC(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H20N2O/c1-8-6-9(8)10(14)13-5-4-12-11(2,3)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRZIDDKIDSMPFKM-IUCAKERBSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 130679550) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID130679550
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H20N2O/c1-8-6-9(8)10(14)13-5-4-12-11(2,3)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRZIDDKIDSMPFKM-IUCAKERBSA-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

(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 120983111
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 130533731
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 79506964
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (CID 130679550) is (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is RZIDDKIDSMPFKM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-6-9(8)10(14)13-5-4-12-11(2,3)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]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 (3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 130679550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).