1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C19H30N4O2 — CID 70780485

IUPAC1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C19H30N4O2/c1-19(2,3)23-15-16(14-17(23)24)18(25)22-12-10-21(11-13-22)9-8-20-6-4-5-7-20/h4-7,16H,8-15H2,1-3H3
InChIKeySJBKXWKOGPRTNQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.28
Rot. Bonds4

About 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70780485) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70780485
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O
InChIInChI=1S/C19H30N4O2/c1-19(2,3)23-15-16(14-17(23)24)18(25)22-12-10-21(11-13-22)9-8-20-6-4-5-7-20/h4-7,16H,8-15H2,1-3H3
InChIKeySJBKXWKOGPRTNQ-UHFFFAOYSA-N
XLogP1.28
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 70780485) is 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1CC(C(=O)N2CCN(CCn3cccc3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SJBKXWKOGPRTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)23-15-16(14-17(23)24)18(25)22-12-10-21(11-13-22)9-8-20-6-4-5-7-20/h4-7,16H,8-15H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70780485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).