benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate

C22H32N2O4 — CID 166077458

IUPACbenzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OC2CC(N3CCC(O)CC3)C2)CC1
InChIInChI=1S/C22H32N2O4/c25-19-6-10-23(11-7-19)18-14-21(15-18)28-20-8-12-24(13-9-20)22(26)27-16-17-4-2-1-3-5-17/h1-5,18-21,25H,6-16H2
InChIKeyRXUSTYZRAQYAJG-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.79
Rot. Bonds5

About benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate

benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate (PubChem CID 166077458) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
PubChem CID166077458
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namebenzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OC2CC(N3CCC(O)CC3)C2)CC1
InChIInChI=1S/C22H32N2O4/c25-19-6-10-23(11-7-19)18-14-21(15-18)28-20-8-12-24(13-9-20)22(26)27-16-17-4-2-1-3-5-17/h1-5,18-21,25H,6-16H2
InChIKeyRXUSTYZRAQYAJG-UHFFFAOYSA-N
XLogP2.79
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(3-tert-butylsulfonyloxycyclobutyl)oxypiperidine-1-carboxylate
CID 166078074
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
tert-butyl (3R,5R)-3,5-dimethyl-4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxycyclobutyl]piperazine-1-carboxylate
CID 166496473
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl 4-[3-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]oxypiperidine-1-carboxylate
CID 170936036
benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate?
The IUPAC name of benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate (CID 166077458) is benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(OC2CC(N3CCC(O)CC3)C2)CC1.
What is the InChIKey of benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate?
The InChIKey is RXUSTYZRAQYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c25-19-6-10-23(11-7-19)18-14-21(15-18)28-20-8-12-24(13-9-20)22(26)27-16-17-4-2-1-3-5-17/h1-5,18-21,25H,6-16H2.
What are the key properties of benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate?
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 166077458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).