2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C16H21N3O3 — CID 97147736

IUPAC2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2nonc2c1
InChIInChI=1S/C16H21N3O3/c1-21-10-4-6-13-5-2-3-9-19(13)16(20)12-7-8-14-15(11-12)18-22-17-14/h7-8,11,13H,2-6,9-10H2,1H3/t13-/m1/s1
InChIKeySBRMFANIQBOADG-CYBMUJFWSA-N
MW303.36 g/mol
LogP2.64
Rot. Bonds5

About 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97147736) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97147736
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc2nonc2c1
InChIInChI=1S/C16H21N3O3/c1-21-10-4-6-13-5-2-3-9-19(13)16(20)12-7-8-14-15(11-12)18-22-17-14/h7-8,11,13H,2-6,9-10H2,1H3/t13-/m1/s1
InChIKeySBRMFANIQBOADG-CYBMUJFWSA-N
XLogP2.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97113189
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 96576442
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 131906931
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97147736) is 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@H]1CCCCN1C(=O)c1ccc2nonc2c1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is SBRMFANIQBOADG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-10-4-6-13-5-2-3-9-19(13)16(20)12-7-8-14-15(11-12)18-22-17-14/h7-8,11,13H,2-6,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97147736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).