(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one

C20H31N3O2 — CID 173174676

IUPAC(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCC1=CC(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)NC=C1
InChIInChI=1S/C20H31N3O2/c1-15-7-10-21-18(13-15)22-11-2-8-20(14-22)9-12-23(19(20)25)16-3-5-17(24)6-4-16/h7,10,13,16-18,21,24H,2-6,8-9,11-12,14H2,1H3/t16?,17?,18?,20-/m1/s1
InChIKeyKLQVRTXHRPFOSB-ITUIIGRCSA-N
MW345.49 g/mol
LogP1.99
Rot. Bonds2

About (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 173174676) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID173174676
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCC1=CC(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)NC=C1
InChIInChI=1S/C20H31N3O2/c1-15-7-10-21-18(13-15)22-11-2-8-20(14-22)9-12-23(19(20)25)16-3-5-17(24)6-4-16/h7,10,13,16-18,21,24H,2-6,8-9,11-12,14H2,1H3/t16?,17?,18?,20-/m1/s1
InChIKeyKLQVRTXHRPFOSB-ITUIIGRCSA-N
XLogP1.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 173174676) is (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one is CC1=CC(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)NC=C1.
What is the InChIKey of (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KLQVRTXHRPFOSB-ITUIIGRCSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-7-10-21-18(13-15)22-11-2-8-20(14-22)9-12-23(19(20)25)16-3-5-17(24)6-4-16/h7,10,13,16-18,21,24H,2-6,8-9,11-12,14H2,1H3/t16?,17?,18?,20-/m1/s1.
What are the key properties of (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 345.49 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 173174676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).