9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H28ClN3O2 — CID 72861751

IUPAC9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3ccc(Cl)cn3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C20H28ClN3O2/c21-15-1-6-18(22-13-15)23-11-9-20(10-12-23)8-7-19(26)24(14-20)16-2-4-17(25)5-3-16/h1,6,13,16-17,25H,2-5,7-12,14H2
InChIKeyCGFKKDCSPDNKKX-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.25
Rot. Bonds2

About 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72861751) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72861751
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3ccc(Cl)cn3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C20H28ClN3O2/c21-15-1-6-18(22-13-15)23-11-9-20(10-12-23)8-7-19(26)24(14-20)16-2-4-17(25)5-3-16/h1,6,13,16-17,25H,2-5,7-12,14H2
InChIKeyCGFKKDCSPDNKKX-UHFFFAOYSA-N
XLogP3.25
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72861751) is 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3ccc(Cl)cn3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CGFKKDCSPDNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c21-15-1-6-18(22-13-15)23-11-9-20(10-12-23)8-7-19(26)24(14-20)16-2-4-17(25)5-3-16/h1,6,13,16-17,25H,2-5,7-12,14H2.
What are the key properties of 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.92 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72861751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).