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

C10H18N2O — CID 42909890

IUPAC(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-8-7-9(8)10(13)12-5-3-11(2)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyDNSBQAGOXBVOPU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.42
Rot. Bonds1

About (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 42909890) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID42909890
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-8-7-9(8)10(13)12-5-3-11(2)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyDNSBQAGOXBVOPU-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 42909890) is (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CC1CC1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DNSBQAGOXBVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-7-9(8)10(13)12-5-3-11(2)4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 182.27 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 42909890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).