1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H29N3O2 — CID 53181873

IUPAC1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-16(2)21-10-12-22(13-11-21)20(25)18-14-19(24)23(15-18)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3
InChIKeyANUKABGLAJVBII-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 53181873) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID53181873
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-16(2)21-10-12-22(13-11-21)20(25)18-14-19(24)23(15-18)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3
InChIKeyANUKABGLAJVBII-UHFFFAOYSA-N
XLogP1.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 53181873) is 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CC(C)N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ANUKABGLAJVBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(2)21-10-12-22(13-11-21)20(25)18-14-19(24)23(15-18)9-8-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 53181873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).