methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate

C24H31NO4 — CID 10905377

IUPACmethyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H31NO4/c1-28-22(26)19-2-4-20(5-3-19)29-21-6-8-25(9-7-21)23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3
InChIKeyZSVTYZGLOPDNFS-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.06
Rot. Bonds4

About methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate

methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate (PubChem CID 10905377) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
PubChem CID10905377
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Namemethyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H31NO4/c1-28-22(26)19-2-4-20(5-3-19)29-21-6-8-25(9-7-21)23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3
InChIKeyZSVTYZGLOPDNFS-UHFFFAOYSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628983
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
CID 142043170
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
4-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methoxy]benzoic acid
CID 24771373
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725415
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
CID 98138286
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate (CID 10905377) is methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate is COC(=O)c1ccc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate?
The InChIKey is ZSVTYZGLOPDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-28-22(26)19-2-4-20(5-3-19)29-21-6-8-25(9-7-21)23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3.
What are the key properties of methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate?
methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate has a molecular weight of 397.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate is sourced from PubChem (CID 10905377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).