(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride

C23H31ClN4O2 — CID 120992144

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCCC1c1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C23H30N4O2.ClH/c24-20-16-9-6-10-17(20)14-18(13-16)23(28)27-12-5-4-11-19(27)22-25-21(26-29-22)15-7-2-1-3-8-15;/h1-3,7-8,16-20H,4-6,9-14,24H2;1H
InChIKeyMQGBPFYWZWCWKE-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.37
Rot. Bonds3

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120992144) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120992144
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCCC1c1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C23H30N4O2.ClH/c24-20-16-9-6-10-17(20)14-18(13-16)23(28)27-12-5-4-11-19(27)22-25-21(26-29-22)15-7-2-1-3-8-15;/h1-3,7-8,16-20H,4-6,9-14,24H2;1H
InChIKeyMQGBPFYWZWCWKE-UHFFFAOYSA-N
XLogP4.37
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361078
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361075
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
2-(cyclopropylmethylamino)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119770979
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
(5-amino-2-methylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 120630504
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94820729

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride (CID 120992144) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCCCC1c1nc(-c3ccccc3)no1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is MQGBPFYWZWCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.ClH/c24-20-16-9-6-10-17(20)14-18(13-16)23(28)27-12-5-4-11-19(27)22-25-21(26-29-22)15-7-2-1-3-8-15;/h1-3,7-8,16-20H,4-6,9-14,24H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120992144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).