2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C15H27N3O2 — CID 71783272

IUPAC2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)N1CCCC1
InChIInChI=1S/C15H27N3O2/c19-14(13-3-4-13)11-16-7-9-17(10-8-16)12-15(20)18-5-1-2-6-18/h13-14,19H,1-12H2
InChIKeyNRMCONINBIOCFD-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.00
Rot. Bonds5

About 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 71783272) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID71783272
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)N1CCCC1
InChIInChI=1S/C15H27N3O2/c19-14(13-3-4-13)11-16-7-9-17(10-8-16)12-15(20)18-5-1-2-6-18/h13-14,19H,1-12H2
InChIKeyNRMCONINBIOCFD-UHFFFAOYSA-N
XLogP-0.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 71783272) is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(CC(O)C2CC2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NRMCONINBIOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14(13-3-4-13)11-16-7-9-17(10-8-16)12-15(20)18-5-1-2-6-18/h13-14,19H,1-12H2.
What are the key properties of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 281.40 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).