7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C23H31N3O — CID 72894242

IUPAC7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc2cc(CN3CCC4(CCCN(CC5CC5)C4=O)C3)ccc21
InChIInChI=1S/C23H31N3O/c1-2-25-12-8-20-14-19(6-7-21(20)25)15-24-13-10-23(17-24)9-3-11-26(22(23)27)16-18-4-5-18/h6-8,12,14,18H,2-5,9-11,13,15-17H2,1H3
InChIKeyQBAUONANDVEPOR-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.89
Rot. Bonds5

About 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72894242) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72894242
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1ccc2cc(CN3CCC4(CCCN(CC5CC5)C4=O)C3)ccc21
InChIInChI=1S/C23H31N3O/c1-2-25-12-8-20-14-19(6-7-21(20)25)15-24-13-10-23(17-24)9-3-11-26(22(23)27)16-18-4-5-18/h6-8,12,14,18H,2-5,9-11,13,15-17H2,1H3
InChIKeyQBAUONANDVEPOR-UHFFFAOYSA-N
XLogP3.89
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97110619
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5S)-2-[(2-chloro-4-fluorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145037
7-(cyclopropylmethyl)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891380
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119058394

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72894242) is 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCn1ccc2cc(CN3CCC4(CCCN(CC5CC5)C4=O)C3)ccc21.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QBAUONANDVEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-25-12-8-20-14-19(6-7-21(20)25)15-24-13-10-23(17-24)9-3-11-26(22(23)27)16-18-4-5-18/h6-8,12,14,18H,2-5,9-11,13,15-17H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 365.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).