cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone

C21H32N4O2 — CID 95327970

IUPACcyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H32N4O2/c26-21(17-7-8-17)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-22-23-20(27-19)16-5-6-16/h15-18H,1-14H2/t18-/m1/s1
InChIKeyRWKFBMNIBSRSMR-GOSISDBHSA-N
MW372.51 g/mol
LogP3.34
Rot. Bonds5

About cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone

cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (PubChem CID 95327970) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
PubChem CID95327970
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Namecyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H32N4O2/c26-21(17-7-8-17)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-22-23-20(27-19)16-5-6-16/h15-18H,1-14H2/t18-/m1/s1
InChIKeyRWKFBMNIBSRSMR-GOSISDBHSA-N
XLogP3.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone
CID 95327077
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 56804519
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
[(2S)-2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95326568
[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95346086
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
1,3-dimethyl-6-[[4-[(2S)-1-(oxane-4-carbonyl)azepan-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95346288
[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 154565043
(2-cyclopentylpyrrolidin-1-yl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 136578094

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (CID 95327970) is cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The InChIKey is RWKFBMNIBSRSMR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-21(17-7-8-17)25-11-3-1-2-4-18(25)15-9-12-24(13-10-15)14-19-22-23-20(27-19)16-5-6-16/h15-18H,1-14H2/t18-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is sourced from PubChem (CID 95327970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).