4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide

C25H40N2O4 — CID 59223919

IUPAC4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)ccc1OC1CCCCC1
InChIInChI=1S/C25H40N2O4/c1-19(2)27(21-9-7-14-26-18-21)25(28)20-12-13-23(31-22-10-5-4-6-11-22)24(17-20)30-16-8-15-29-3/h12-13,17,19,21-22,26H,4-11,14-16,18H2,1-3H3/t21-/m1/s1
InChIKeyCHLHPUBXFYDZTC-OAQYLSRUSA-N
MW432.61 g/mol
LogP4.42
Rot. Bonds10

About 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide

4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 59223919) has the molecular formula C25H40N2O4 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID59223919
Molecular FormulaC25H40N2O4
Molecular Weight432.61 g/mol
Exact Mass432.30
IUPAC Name4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)ccc1OC1CCCCC1
InChIInChI=1S/C25H40N2O4/c1-19(2)27(21-9-7-14-26-18-21)25(28)20-12-13-23(31-22-10-5-4-6-11-22)24(17-20)30-16-8-15-29-3/h12-13,17,19,21-22,26H,4-11,14-16,18H2,1-3H3/t21-/m1/s1
InChIKeyCHLHPUBXFYDZTC-OAQYLSRUSA-N
XLogP4.42
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
tert-butyl (3R)-3-[[4-cyclohexyloxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[4-hydroxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 159393576
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
CID 68662611
N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59224139
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide
CID 70954283
N-[6-[2-[cyclopropyl-(2-methoxyacetyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 72535005

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide (CID 59223919) is 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)ccc1OC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is CHLHPUBXFYDZTC-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H40N2O4/c1-19(2)27(21-9-7-14-26-18-21)25(28)20-12-13-23(31-22-10-5-4-6-11-22)24(17-20)30-16-8-15-29-3/h12-13,17,19,21-22,26H,4-11,14-16,18H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 432.61 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 59223919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).