azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone

C22H35N5O2 — CID 146279257

IUPACazepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
SMILESCc1noc(N2C3CCC2CC(N2CCC(C(=O)N4CCCCCC4)CC2)C3)n1
InChIInChI=1S/C22H35N5O2/c1-16-23-22(29-24-16)27-18-6-7-19(27)15-20(14-18)25-12-8-17(9-13-25)21(28)26-10-4-2-3-5-11-26/h17-20H,2-15H2,1H3
InChIKeyXLMIOAYYEFOAPD-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.99
Rot. Bonds3

About azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone

azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone (PubChem CID 146279257) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
PubChem CID146279257
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Nameazepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
SMILESCc1noc(N2C3CCC2CC(N2CCC(C(=O)N4CCCCCC4)CC2)C3)n1
InChIInChI=1S/C22H35N5O2/c1-16-23-22(29-24-16)27-18-6-7-19(27)15-20(14-18)25-12-8-17(9-13-25)21(28)26-10-4-2-3-5-11-26/h17-20H,2-15H2,1H3
InChIKeyXLMIOAYYEFOAPD-UHFFFAOYSA-N
XLogP2.99
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 156754685
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
N-tert-butyl-1-[(1R,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide
CID 171600992
N-tert-butyl-1-[(1R,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrochloride
CID 171600997
1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
CID 175782206
N-tert-butyl-1-[(1R,5S)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
CID 174238467
[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 124889969
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
3,3-dimethyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42881246
1-(cyclobutanecarbonyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 97200457

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone (CID 146279257) is azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone is Cc1noc(N2C3CCC2CC(N2CCC(C(=O)N4CCCCCC4)CC2)C3)n1.
What is the InChIKey of azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone?
The InChIKey is XLMIOAYYEFOAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-16-23-22(29-24-16)27-18-6-7-19(27)15-20(14-18)25-12-8-17(9-13-25)21(28)26-10-4-2-3-5-11-26/h17-20H,2-15H2,1H3.
What are the key properties of azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone has a molecular weight of 401.56 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 146279257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).