azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone

C24H36N2O3 — CID 134029878

IUPACazepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
SMILESCC(C)CCOc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C24H36N2O3/c1-19(2)13-18-29-22-9-7-20(8-10-22)23(27)26-16-11-21(12-17-26)24(28)25-14-5-3-4-6-15-25/h7-10,19,21H,3-6,11-18H2,1-2H3
InChIKeyDEWBGAOWWAQATL-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.37
Rot. Bonds6

About azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone

azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone (PubChem CID 134029878) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
PubChem CID134029878
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Nameazepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
SMILESCC(C)CCOc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C24H36N2O3/c1-19(2)13-18-29-22-9-7-20(8-10-22)23(27)26-16-11-21(12-17-26)24(28)25-14-5-3-4-6-15-25/h7-10,19,21H,3-6,11-18H2,1-2H3
InChIKeyDEWBGAOWWAQATL-UHFFFAOYSA-N
XLogP4.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone (CID 134029878) is azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone is CC(C)CCOc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1.
What is the InChIKey of azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone?
The InChIKey is DEWBGAOWWAQATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-19(2)13-18-29-22-9-7-20(8-10-22)23(27)26-16-11-21(12-17-26)24(28)25-14-5-3-4-6-15-25/h7-10,19,21H,3-6,11-18H2,1-2H3.
What are the key properties of azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone has a molecular weight of 400.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).