ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone

C14H28N2O3 — CID 177202764

IUPACethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone
SMILESCC.COCC1CN(C)CCN1C(=O)C1(OC)CC1
InChIInChI=1S/C12H22N2O3.C2H6/c1-13-6-7-14(10(8-13)9-16-2)11(15)12(17-3)4-5-12;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyXSRXVFUCGRSJLN-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.98
Rot. Bonds4

About ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone

ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 177202764) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Nameethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID177202764
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone
SMILESCC.COCC1CN(C)CCN1C(=O)C1(OC)CC1
InChIInChI=1S/C12H22N2O3.C2H6/c1-13-6-7-14(10(8-13)9-16-2)11(15)12(17-3)4-5-12;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyXSRXVFUCGRSJLN-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone (CID 177202764) is ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone is CC.COCC1CN(C)CCN1C(=O)C1(OC)CC1.
What is the InChIKey of ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is XSRXVFUCGRSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.C2H6/c1-13-6-7-14(10(8-13)9-16-2)11(15)12(17-3)4-5-12;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone?
ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 177202764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).