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

C21H33N3O2 — CID 95354750

IUPACcyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESCc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-15-19(16(2)26-22-15)14-23-12-9-17(10-13-23)20-6-4-3-5-11-24(20)21(25)18-7-8-18/h17-18,20H,3-14H2,1-2H3/t20-/m1/s1
InChIKeyZJPJEGOZQGJADZ-HXUWFJFHSA-N
MW359.51 g/mol
LogP3.68
Rot. Bonds4

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

cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (PubChem CID 95354750) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
PubChem CID95354750
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Namecyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
SMILESCc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-15-19(16(2)26-22-15)14-23-12-9-17(10-13-23)20-6-4-3-5-11-24(20)21(25)18-7-8-18/h17-18,20H,3-14H2,1-2H3/t20-/m1/s1
InChIKeyZJPJEGOZQGJADZ-HXUWFJFHSA-N
XLogP3.68
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
CID 95617489
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327970
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95346086
[(2R,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388532
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 56804519
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134701430
[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
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone (CID 95354750) is cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is Cc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
The InChIKey is ZJPJEGOZQGJADZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15-19(16(2)26-22-15)14-23-12-9-17(10-13-23)20-6-4-3-5-11-24(20)21(25)18-7-8-18/h17-18,20H,3-14H2,1-2H3/t20-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone?
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone has a molecular weight of 359.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone is sourced from PubChem (CID 95354750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).