cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone

C24H37N3O2 — CID 45234048

IUPACcyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C24H37N3O2/c28-23-19-27(24(29)21-9-5-2-6-10-21)14-12-22(23)26-17-15-25(16-18-26)13-11-20-7-3-1-4-8-20/h1,3-4,7-8,21-23,28H,2,5-6,9-19H2/t22-,23-/m1/s1
InChIKeyRRZTTYKWORROFC-DHIUTWEWSA-N
MW399.58 g/mol
LogP2.39
Rot. Bonds5

About cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 45234048) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID45234048
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Namecyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C24H37N3O2/c28-23-19-27(24(29)21-9-5-2-6-10-21)14-12-22(23)26-17-15-25(16-18-26)13-11-20-7-3-1-4-8-20/h1,3-4,7-8,21-23,28H,2,5-6,9-19H2/t22-,23-/m1/s1
InChIKeyRRZTTYKWORROFC-DHIUTWEWSA-N
XLogP2.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone 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 cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 45234048) is cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1.
What is the InChIKey of cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RRZTTYKWORROFC-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H37N3O2/c28-23-19-27(24(29)21-9-5-2-6-10-21)14-12-22(23)26-17-15-25(16-18-26)13-11-20-7-3-1-4-8-20/h1,3-4,7-8,21-23,28H,2,5-6,9-19H2/t22-,23-/m1/s1.
What are the key properties of cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 399.58 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 45234048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).