[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride

C14H23ClN4OS — CID 119622207

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C14H22N4OS.ClH/c1-2-12-13(20-17-16-12)14(19)18-7-5-11(6-8-18)15-9-10-3-4-10;/h10-11,15H,2-9H2,1H3;1H
InChIKeyUJUFLKIPINGWSE-UHFFFAOYSA-N
MW330.89 g/mol
LogP2.13
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 119622207) has the molecular formula C14H23ClN4OS and a molecular weight of 330.89 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID119622207
Molecular FormulaC14H23ClN4OS
Molecular Weight330.89 g/mol
Exact Mass330.13
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C14H22N4OS.ClH/c1-2-12-13(20-17-16-12)14(19)18-7-5-11(6-8-18)15-9-10-3-4-10;/h10-11,15H,2-9H2,1H3;1H
InChIKeyUJUFLKIPINGWSE-UHFFFAOYSA-N
XLogP2.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.89
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 32512747
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500686

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride (CID 119622207) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride is CCc1nnsc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is UJUFLKIPINGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS.ClH/c1-2-12-13(20-17-16-12)14(19)18-7-5-11(6-8-18)15-9-10-3-4-10;/h10-11,15H,2-9H2,1H3;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 330.89 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119622207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).