9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C23H31N3O2 — CID 162632433

IUPAC9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1cccc2cc[nH]c12
InChIInChI=1S/C23H31N3O2/c27-20-8-6-19(7-9-20)26-15-3-12-23(22(26)28)11-2-14-25(23)16-18-5-1-4-17-10-13-24-21(17)18/h1,4-5,10,13,19-20,24,27H,2-3,6-9,11-12,14-16H2
InChIKeyFNTCYZGMJXWWKN-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.43
Rot. Bonds3

About 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162632433) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162632433
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1cccc2cc[nH]c12
InChIInChI=1S/C23H31N3O2/c27-20-8-6-19(7-9-20)26-15-3-12-23(22(26)28)11-2-14-25(23)16-18-5-1-4-17-10-13-24-21(17)18/h1,4-5,10,13,19-20,24,27H,2-3,6-9,11-12,14-16H2
InChIKeyFNTCYZGMJXWWKN-UHFFFAOYSA-N
XLogP3.43
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162632433) is 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1cccc2cc[nH]c12.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is FNTCYZGMJXWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-20-8-6-19(7-9-20)26-15-3-12-23(22(26)28)11-2-14-25(23)16-18-5-1-4-17-10-13-24-21(17)18/h1,4-5,10,13,19-20,24,27H,2-3,6-9,11-12,14-16H2.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 381.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162632433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).