(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone

C12H20N2O — CID 119473712

IUPAC(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CC1C1CC1
InChIInChI=1S/C12H20N2O/c1-8-7-13-4-5-14(8)12(15)11-6-10(11)9-2-3-9/h8-11,13H,2-7H2,1H3
InChIKeyZYICVMBCOIIJDV-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.85
Rot. Bonds2

About (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone

(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119473712) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119473712
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CC1C1CC1
InChIInChI=1S/C12H20N2O/c1-8-7-13-4-5-14(8)12(15)11-6-10(11)9-2-3-9/h8-11,13H,2-7H2,1H3
InChIKeyZYICVMBCOIIJDV-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bicyclo[2.2.1]heptanyl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704906
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470839
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472321
(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 165368993
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
CID 80596524
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
(5S)-5-[(2R)-2-methylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 94545844

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone (CID 119473712) is (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)C1CC1C1CC1.
What is the InChIKey of (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is ZYICVMBCOIIJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-7-13-4-5-14(8)12(15)11-6-10(11)9-2-3-9/h8-11,13H,2-7H2,1H3.
What are the key properties of (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone?
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119473712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).