[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C22H25N3O3 — CID 45211325

IUPAC[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3cccc4nonc34)C2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)27-19-9-3-6-16(12-19)22(26)18-8-5-11-25(14-18)13-17-7-4-10-20-21(17)24-28-23-20/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3
InChIKeyHNDMMIXOWHWFBJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.10
Rot. Bonds6

About [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 45211325) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID45211325
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3cccc4nonc34)C2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)27-19-9-3-6-16(12-19)22(26)18-8-5-11-25(14-18)13-17-7-4-10-20-21(17)24-28-23-20/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3
InChIKeyHNDMMIXOWHWFBJ-UHFFFAOYSA-N
XLogP4.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268
[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25395452
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45195158
(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
2-[3-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 42194573
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
[(3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25450432
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289

Frequently Asked Questions

What is the IUPAC name of [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 45211325) is [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2CCCN(Cc3cccc4nonc34)C2)c1.
What is the InChIKey of [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is HNDMMIXOWHWFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)27-19-9-3-6-16(12-19)22(26)18-8-5-11-25(14-18)13-17-7-4-10-20-21(17)24-28-23-20/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3.
What are the key properties of [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 379.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 45211325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).