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

C19H29N3O2 — CID 173174944

IUPAC(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(C1C=CC=CN1)C2
InChIInChI=1S/C19H29N3O2/c23-16-7-5-15(6-8-16)22-13-10-19(18(22)24)9-3-12-21(14-19)17-4-1-2-11-20-17/h1-2,4,11,15-17,20,23H,3,5-10,12-14H2/t15?,16?,17?,19-/m1/s1
InChIKeyXXFWVIQUPHEKNP-MAGNIPBMSA-N
MW331.46 g/mol
LogP1.60
Rot. Bonds2

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

(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 173174944) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID173174944
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(C1C=CC=CN1)C2
InChIInChI=1S/C19H29N3O2/c23-16-7-5-15(6-8-16)22-13-10-19(18(22)24)9-3-12-21(14-19)17-4-1-2-11-20-17/h1-2,4,11,15-17,20,23H,3,5-10,12-14H2/t15?,16?,17?,19-/m1/s1
InChIKeyXXFWVIQUPHEKNP-MAGNIPBMSA-N
XLogP1.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 173174944) is (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(C1C=CC=CN1)C2.
What is the InChIKey of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XXFWVIQUPHEKNP-MAGNIPBMSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-16-7-5-15(6-8-16)22-13-10-19(18(22)24)9-3-12-21(14-19)17-4-1-2-11-20-17/h1-2,4,11,15-17,20,23H,3,5-10,12-14H2/t15?,16?,17?,19-/m1/s1.
What are the key properties of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 173174944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).