propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate

C24H36N2O3 — CID 67844937

IUPACpropan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
SMILESCC(C)OC(=O)CCC1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C24H36N2O3/c1-17(2)29-23(27)12-5-18-3-10-22(11-4-18)26-24(28)21-8-6-19(7-9-21)20-13-15-25-16-14-20/h6-9,17-18,20,22,25H,3-5,10-16H2,1-2H3,(H,26,28)
InChIKeyVBBYAFMCYXBRGU-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.17
Rot. Bonds7

About propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate

propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate (PubChem CID 67844937) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
PubChem CID67844937
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Namepropan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
SMILESCC(C)OC(=O)CCC1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C24H36N2O3/c1-17(2)29-23(27)12-5-18-3-10-22(11-4-18)26-24(28)21-8-6-19(7-9-21)20-13-15-25-16-14-20/h6-9,17-18,20,22,25H,3-5,10-16H2,1-2H3,(H,26,28)
InChIKeyVBBYAFMCYXBRGU-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate with MolForge

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Related Compounds

2-amino-3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844674
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
CID 67844920
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
CID 67844916
3-[4-[(2-chloro-4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844587
methyl 3-[4-[(4-piperidin-4-ylphenyl)methoxy]cyclohexyl]propanoate;hydrochloride
CID 67844901
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
3-[4-[(4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844654
methyl 3-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]propanoate
CID 18969401
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide
CID 158758791
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 162554246

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate?
The IUPAC name of propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate (CID 67844937) is propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate.
What is the SMILES notation for propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate?
The canonical SMILES for propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate is CC(C)OC(=O)CCC1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1.
What is the InChIKey of propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate?
The InChIKey is VBBYAFMCYXBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-17(2)29-23(27)12-5-18-3-10-22(11-4-18)26-24(28)21-8-6-19(7-9-21)20-13-15-25-16-14-20/h6-9,17-18,20,22,25H,3-5,10-16H2,1-2H3,(H,26,28).
What are the key properties of propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate?
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate has a molecular weight of 400.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate is sourced from PubChem (CID 67844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).