(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C14H24N2O2 — CID 51072672

IUPAC(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h11-13H,2-10H2,1H3
InChIKeyFSWCOHLQYRSRKR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.97
Rot. Bonds3

About (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 51072672) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID51072672
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h11-13H,2-10H2,1H3
InChIKeyFSWCOHLQYRSRKR-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 51072672) is (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is CC1CC1C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FSWCOHLQYRSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-9-13(11)14(17)16-6-4-15(5-7-16)10-12-3-2-8-18-12/h11-13H,2-10H2,1H3.
What are the key properties of (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 252.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51072672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).