3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one

C17H29N3O2 — CID 91913092

IUPAC3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)5-7-19-8-6-15(17(19)22)18-9-11-20(12-10-18)16(21)14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyWOJIDCBTBNXLPE-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.19
Rot. Bonds5

About 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one (PubChem CID 91913092) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
PubChem CID91913092
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCC(C)CCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)5-7-19-8-6-15(17(19)22)18-9-11-20(12-10-18)16(21)14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyWOJIDCBTBNXLPE-UHFFFAOYSA-N
XLogP1.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one (CID 91913092) is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one is CC(C)CCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
The InChIKey is WOJIDCBTBNXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)5-7-19-8-6-15(17(19)22)18-9-11-20(12-10-18)16(21)14-3-4-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one?
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 91913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).