N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C26H29N3O3 — CID 171922054

IUPACN-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)Oc2ccccc21
InChIInChI=1S/C26H29N3O3/c1-18(30)28-23-16-26(32-24-9-5-3-7-21(23)24)12-14-29(15-13-26)25(31)11-10-19-17-27-22-8-4-2-6-20(19)22/h2-9,17,23,27H,10-16H2,1H3,(H,28,30)
InChIKeyWKQWEYVHRZAZNO-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.12
Rot. Bonds4

About N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 171922054) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID171922054
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)Oc2ccccc21
InChIInChI=1S/C26H29N3O3/c1-18(30)28-23-16-26(32-24-9-5-3-7-21(23)24)12-14-29(15-13-26)25(31)11-10-19-17-27-22-8-4-2-6-20(19)22/h2-9,17,23,27H,10-16H2,1H3,(H,28,30)
InChIKeyWKQWEYVHRZAZNO-UHFFFAOYSA-N
XLogP4.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide 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

N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134789349
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
(4S)-8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97190781
8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72856512
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 131654224
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530
3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
CID 91833615
3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110114301

Frequently Asked Questions

What is the IUPAC name of N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 171922054) is N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)Oc2ccccc21.
What is the InChIKey of N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is WKQWEYVHRZAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(30)28-23-16-26(32-24-9-5-3-7-21(23)24)12-14-29(15-13-26)25(31)11-10-19-17-27-22-8-4-2-6-20(19)22/h2-9,17,23,27H,10-16H2,1H3,(H,28,30).
What are the key properties of N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 171922054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).