1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride

C18H25ClN4O2S — CID 119622767

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1nc(-c2ccsc2)no1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O2S.ClH/c23-17(22-8-5-15(6-9-22)19-11-13-1-2-13)4-3-16-20-18(21-24-16)14-7-10-25-12-14;/h7,10,12-13,15,19H,1-6,8-9,11H2;1H
InChIKeyFIRIZQYFQMHWJH-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride (PubChem CID 119622767) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
PubChem CID119622767
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1nc(-c2ccsc2)no1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O2S.ClH/c23-17(22-8-5-15(6-9-22)19-11-13-1-2-13)4-3-16-20-18(21-24-16)14-7-10-25-12-14;/h7,10,12-13,15,19H,1-6,8-9,11H2;1H
InChIKeyFIRIZQYFQMHWJH-UHFFFAOYSA-N
XLogP3.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;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

1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107443
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107442
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one;hydrochloride
CID 119623857
1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354860
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119623858
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120816806
1-(3-hydroxypiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110882018
1-(2-methylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 24537574
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119623261
1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 32533122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride (CID 119622767) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride is Cl.O=C(CCc1nc(-c2ccsc2)no1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The InChIKey is FIRIZQYFQMHWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c23-17(22-8-5-15(6-9-22)19-11-13-1-2-13)4-3-16-20-18(21-24-16)14-7-10-25-12-14;/h7,10,12-13,15,19H,1-6,8-9,11H2;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119622767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).