cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone

C9H16N2O — CID 81427815

IUPACcyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CCN1
InChIInChI=1S/C9H16N2O/c1-7-6-11(5-4-10-7)9(12)8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyRTPKFZMQRBPBJU-ZETCQYMHSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds1

About cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone

cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 81427815) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID81427815
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namecyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CCN1
InChIInChI=1S/C9H16N2O/c1-7-6-11(5-4-10-7)9(12)8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyRTPKFZMQRBPBJU-ZETCQYMHSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
(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-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
[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
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone (CID 81427815) is cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)C2CC2)CCN1.
What is the InChIKey of cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is RTPKFZMQRBPBJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-6-11(5-4-10-7)9(12)8-2-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone?
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 168.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).