[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C23H39N3O3 — CID 25375245

IUPAC[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)CCCCC1
InChIInChI=1S/C23H39N3O3/c1-23(9-3-2-4-10-23)22(28)26-13-7-20(8-14-26)24-11-5-19(6-12-24)21(27)25-15-17-29-18-16-25/h19-20H,2-18H2,1H3
InChIKeyTWDBPQCJPHIOJM-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.52
Rot. Bonds3

About [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 25375245) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID25375245
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)CCCCC1
InChIInChI=1S/C23H39N3O3/c1-23(9-3-2-4-10-23)22(28)26-13-7-20(8-14-26)24-11-5-19(6-12-24)21(27)25-15-17-29-18-16-25/h19-20H,2-18H2,1H3
InChIKeyTWDBPQCJPHIOJM-UHFFFAOYSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone 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 [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 25375245) is [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is CC1(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)CCCCC1.
What is the InChIKey of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is TWDBPQCJPHIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-23(9-3-2-4-10-23)22(28)26-13-7-20(8-14-26)24-11-5-19(6-12-24)21(27)25-15-17-29-18-16-25/h19-20H,2-18H2,1H3.
What are the key properties of [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 405.58 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25375245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).