1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C20H25N3O3 — CID 42952813

IUPAC1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C20H25N3O3/c21-19(25)14-6-8-22(9-7-14)20(26)16-11-18(24)23(12-16)17-5-4-13-2-1-3-15(13)10-17/h4-5,10,14,16H,1-3,6-9,11-12H2,(H2,21,25)
InChIKeyJYWJIJUHJUVKGT-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.25
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 42952813) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID42952813
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C20H25N3O3/c21-19(25)14-6-8-22(9-7-14)20(26)16-11-18(24)23(12-16)17-5-4-13-2-1-3-15(13)10-17/h4-5,10,14,16H,1-3,6-9,11-12H2,(H2,21,25)
InChIKeyJYWJIJUHJUVKGT-UHFFFAOYSA-N
XLogP1.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
(4R)-1-(2,3-dihydro-1H-inden-5-yl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 31815896
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 46592345
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46597619
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55642013
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(2,3-dihydro-1H-inden-5-yl)-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 55714290

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 42952813) is 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is JYWJIJUHJUVKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-19(25)14-6-8-22(9-7-14)20(26)16-11-18(24)23(12-16)17-5-4-13-2-1-3-15(13)10-17/h4-5,10,14,16H,1-3,6-9,11-12H2,(H2,21,25).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42952813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).