N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

C22H33N3O3 — CID 134808469

IUPACN-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCN1CCC2(C1)CN(CC1CCOCC1)c1ccc(C(=O)NCCCO)cc12
InChIInChI=1S/C22H33N3O3/c1-24-9-7-22(15-24)16-25(14-17-5-11-28-12-6-17)20-4-3-18(13-19(20)22)21(27)23-8-2-10-26/h3-4,13,17,26H,2,5-12,14-16H2,1H3,(H,23,27)
InChIKeyYYRFPTWSDYZXPR-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.62
Rot. Bonds6

About N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (PubChem CID 134808469) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
PubChem CID134808469
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCN1CCC2(C1)CN(CC1CCOCC1)c1ccc(C(=O)NCCCO)cc12
InChIInChI=1S/C22H33N3O3/c1-24-9-7-22(15-24)16-25(14-17-5-11-28-12-6-17)20-4-3-18(13-19(20)22)21(27)23-8-2-10-26/h3-4,13,17,26H,2,5-12,14-16H2,1H3,(H,23,27)
InChIKeyYYRFPTWSDYZXPR-UHFFFAOYSA-N
XLogP1.62
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide 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

1-(cyclopropylmethyl)-1'-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134807365
N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134809965
N-ethyl-1,1'-dimethylspiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805432
N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 98020122
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide
CID 134074322
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134809739
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (CID 134808469) is N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is CN1CCC2(C1)CN(CC1CCOCC1)c1ccc(C(=O)NCCCO)cc12.
What is the InChIKey of N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The InChIKey is YYRFPTWSDYZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-24-9-7-22(15-24)16-25(14-17-5-11-28-12-6-17)20-4-3-18(13-19(20)22)21(27)23-8-2-10-26/h3-4,13,17,26H,2,5-12,14-16H2,1H3,(H,23,27).
What are the key properties of N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is sourced from PubChem (CID 134808469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).