(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

C10H18N2O — CID 67569223

IUPAC(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(3-4-10)9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3
InChIKeySRVQRBZGFSWARU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds1

About (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 67569223) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID67569223
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(3-4-10)9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3
InChIKeySRVQRBZGFSWARU-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 67569223) is (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SRVQRBZGFSWARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(3-4-10)9(13)12-7-5-11(2)6-8-12/h3-8H2,1-2H3.
What are the key properties of (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 182.27 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 67569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).