2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C23H32N4O3 — CID 55642013

IUPAC2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C23H32N4O3/c1-24(2)22(29)16-25-9-4-10-26(12-11-25)23(30)19-14-21(28)27(15-19)20-8-7-17-5-3-6-18(17)13-20/h7-8,13,19H,3-6,9-12,14-16H2,1-2H3
InChIKeyPXACLMAQXCDKOL-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.15
Rot. Bonds4

About 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 55642013) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID55642013
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C23H32N4O3/c1-24(2)22(29)16-25-9-4-10-26(12-11-25)23(30)19-14-21(28)27(15-19)20-8-7-17-5-3-6-18(17)13-20/h7-8,13,19H,3-6,9-12,14-16H2,1-2H3
InChIKeyPXACLMAQXCDKOL-UHFFFAOYSA-N
XLogP1.15
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55575458
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 167890751
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
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-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 46592345
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46597619
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 55642013) is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is PXACLMAQXCDKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-24(2)22(29)16-25-9-4-10-26(12-11-25)23(30)19-14-21(28)27(15-19)20-8-7-17-5-3-6-18(17)13-20/h7-8,13,19H,3-6,9-12,14-16H2,1-2H3.
What are the key properties of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 412.53 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 55642013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).