(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride

C17H21ClN2O2S — CID 119379893

IUPAC(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-9-5-8-13(18)11-19;/h2-4,6-7,10,13H,5,8-9,11,18H2,1H3;1H
InChIKeyKHJCACXOKXBAGE-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.41
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119379893) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
PubChem CID119379893
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-9-5-8-13(18)11-19;/h2-4,6-7,10,13H,5,8-9,11,18H2,1H3;1H
InChIKeyKHJCACXOKXBAGE-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119595140
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride (CID 119379893) is (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride is COc1cc(-c2ccccc2)sc1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is KHJCACXOKXBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-9-5-8-13(18)11-19;/h2-4,6-7,10,13H,5,8-9,11,18H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119379893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).