4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

C25H27N3O3 — CID 55330126

IUPAC4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O
InChIInChI=1S/C25H27N3O3/c1-2-17-7-3-5-9-21(17)28-16-19(15-23(28)29)25(30)27-13-11-18(12-14-27)24-26-20-8-4-6-10-22(20)31-24/h3-10,18-19H,2,11-16H2,1H3
InChIKeyYKSAMIZGZOJYGD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.15
Rot. Bonds4

About 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 55330126) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID55330126
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O
InChIInChI=1S/C25H27N3O3/c1-2-17-7-3-5-9-21(17)28-16-19(15-23(28)29)25(30)27-13-11-18(12-14-27)24-26-20-8-4-6-10-22(20)31-24/h3-10,18-19H,2,11-16H2,1H3
InChIKeyYKSAMIZGZOJYGD-UHFFFAOYSA-N
XLogP4.15
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51144926
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-ethylpiperidin-2-yl)methanone
CID 75405318
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (CID 55330126) is 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1CC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O.
What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is YKSAMIZGZOJYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-17-7-3-5-9-21(17)28-16-19(15-23(28)29)25(30)27-13-11-18(12-14-27)24-26-20-8-4-6-10-22(20)31-24/h3-10,18-19H,2,11-16H2,1H3.
What are the key properties of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 55330126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).