1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C20H27N3O — CID 162637513

IUPAC1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2cccc3[nH]ccc23)C1=O
InChIInChI=1S/C20H27N3O/c1-15(2)23-13-5-10-20(19(23)24)9-4-12-22(20)14-16-6-3-7-18-17(16)8-11-21-18/h3,6-8,11,15,21H,4-5,9-10,12-14H2,1-2H3
InChIKeyJQSBPUALTUFOQX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.53
Rot. Bonds3

About 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637513) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637513
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2cccc3[nH]ccc23)C1=O
InChIInChI=1S/C20H27N3O/c1-15(2)23-13-5-10-20(19(23)24)9-4-12-22(20)14-16-6-3-7-18-17(16)8-11-21-18/h3,6-8,11,15,21H,4-5,9-10,12-14H2,1-2H3
InChIKeyJQSBPUALTUFOQX-UHFFFAOYSA-N
XLogP3.53
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-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

(+)-Lysergic acid diethylamide
CID 5761
Lysergic acid amide
CID 442072
Apicidin
CID 6918328
Ilomastat
CID 132519
Anamorelin
CID 9828911
Macimorelin
CID 9804938
N-Acetyltryptamine
CID 70547
(3s,6s,9s,12r)-6-[(1-Methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 467801
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
CID 638252
Brevianamide F
CID 181567
Necrostatin-1
CID 2828334
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162637513) is 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2Cc2cccc3[nH]ccc23)C1=O.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JQSBPUALTUFOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)23-13-5-10-20(19(23)24)9-4-12-22(20)14-16-6-3-7-18-17(16)8-11-21-18/h3,6-8,11,15,21H,4-5,9-10,12-14H2,1-2H3.
What are the key properties of 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 325.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).