(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride

C16H21ClN4O2S — CID 119379161

IUPAC(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)N2CCCC(N)C2)n1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-11-18-15(22-19-11)10-23-14-7-3-2-6-13(14)16(21)20-8-4-5-12(17)9-20;/h2-3,6-7,12H,4-5,8-10,17H2,1H3;1H
InChIKeyQPVNQISXHOFKPI-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.66
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride (PubChem CID 119379161) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
PubChem CID119379161
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)N2CCCC(N)C2)n1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-11-18-15(22-19-11)10-23-14-7-3-2-6-13(14)16(21)20-8-4-5-12(17)9-20;/h2-3,6-7,12H,4-5,8-10,17H2,1H3;1H
InChIKeyQPVNQISXHOFKPI-UHFFFAOYSA-N
XLogP2.66
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride with MolForge

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
CID 119396598
[4-(1-aminoethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
CID 119518567
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
CID 119623263
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
ethyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate
CID 33078699
N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119602591
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
N-(3-methoxypropyl)-2-[4-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
CID 55534665
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541145
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride (CID 119379161) is (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride is Cc1noc(CSc2ccccc2C(=O)N2CCCC(N)C2)n1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride?
The InChIKey is QPVNQISXHOFKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.ClH/c1-11-18-15(22-19-11)10-23-14-7-3-2-6-13(14)16(21)20-8-4-5-12(17)9-20;/h2-3,6-7,12H,4-5,8-10,17H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 119379161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).