3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide

C25H29N3O4 — CID 108558288

IUPAC3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)CC1=O
InChIInChI=1S/C25H29N3O4/c1-17(18-6-3-2-4-7-18)28-16-20(15-23(28)30)25(32)27-12-10-21(11-13-27)26-24(31)19-8-5-9-22(29)14-19/h2-9,14,17,20-21,29H,10-13,15-16H2,1H3,(H,26,31)
InChIKeyRCUDGFDGIUDQKI-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.72
Rot. Bonds5

About 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide

3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 108558288) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID108558288
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)CC1=O
InChIInChI=1S/C25H29N3O4/c1-17(18-6-3-2-4-7-18)28-16-20(15-23(28)30)25(32)27-12-10-21(11-13-27)26-24(31)19-8-5-9-22(29)14-19/h2-9,14,17,20-21,29H,10-13,15-16H2,1H3,(H,26,31)
InChIKeyRCUDGFDGIUDQKI-UHFFFAOYSA-N
XLogP2.72
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108548359
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
2,2,2-trifluoro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108548701
4-chloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]butanamide
CID 108564809
2-chloroethyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564820
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide (CID 108558288) is 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide is CC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)CC1=O.
What is the InChIKey of 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is RCUDGFDGIUDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17(18-6-3-2-4-7-18)28-16-20(15-23(28)30)25(32)27-12-10-21(11-13-27)26-24(31)19-8-5-9-22(29)14-19/h2-9,14,17,20-21,29H,10-13,15-16H2,1H3,(H,26,31).
What are the key properties of 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide?
3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108558288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).