7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C20H27N3O — CID 176503269

IUPAC7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(CCc3c[nH]c4ccccc34)C2)C1=O
InChIInChI=1S/C20H27N3O/c1-2-10-23-13-9-20(19(23)24)8-12-22(15-20)11-7-16-14-21-18-6-4-3-5-17(16)18/h3-6,14,21H,2,7-13,15H2,1H3
InChIKeyPBDSTPBBHDYAOW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.04
Rot. Bonds5

About 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176503269) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176503269
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(CCc3c[nH]c4ccccc34)C2)C1=O
InChIInChI=1S/C20H27N3O/c1-2-10-23-13-9-20(19(23)24)8-12-22(15-20)11-7-16-14-21-18-6-4-3-5-17(16)18/h3-6,14,21H,2,7-13,15H2,1H3
InChIKeyPBDSTPBBHDYAOW-UHFFFAOYSA-N
XLogP3.04
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one 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

4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 20537388
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97132579
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537385
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
2-(1H-indol-3-ylmethyl)-7-(4-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979687
N-[(2-methoxyphenyl)methyl]-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)acetamide
CID 176503248
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99791562

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 176503269) is 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(CCc3c[nH]c4ccccc34)C2)C1=O.
What is the InChIKey of 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PBDSTPBBHDYAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-10-23-13-9-20(19(23)24)8-12-22(15-20)11-7-16-14-21-18-6-4-3-5-17(16)18/h3-6,14,21H,2,7-13,15H2,1H3.
What are the key properties of 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176503269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).