[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride

C15H23ClF2N2O3S — CID 119664700

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(OCCCN)CC2)s1.Cl
InChIInChI=1S/C15H22F2N2O3S.ClH/c1-10-9-12(22-15(16)17)13(23-10)14(20)19-6-3-11(4-7-19)21-8-2-5-18;/h9,11,15H,2-8,18H2,1H3;1H
InChIKeyUNNBVZUTQOPYNI-UHFFFAOYSA-N
MW384.88 g/mol
LogP3.05
Rot. Bonds7

About [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride (PubChem CID 119664700) has the molecular formula C15H23ClF2N2O3S and a molecular weight of 384.88 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
PubChem CID119664700
Molecular FormulaC15H23ClF2N2O3S
Molecular Weight384.88 g/mol
Exact Mass384.11
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
SMILESCc1cc(OC(F)F)c(C(=O)N2CCC(OCCCN)CC2)s1.Cl
InChIInChI=1S/C15H22F2N2O3S.ClH/c1-10-9-12(22-15(16)17)13(23-10)14(20)19-6-3-11(4-7-19)21-8-2-5-18;/h9,11,15H,2-8,18H2,1H3;1H
InChIKeyUNNBVZUTQOPYNI-UHFFFAOYSA-N
XLogP3.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 119487308
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178331
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823495
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119663842
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248261

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride (CID 119664700) is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride is Cc1cc(OC(F)F)c(C(=O)N2CCC(OCCCN)CC2)s1.Cl.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride?
The InChIKey is UNNBVZUTQOPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S.ClH/c1-10-9-12(22-15(16)17)13(23-10)14(20)19-6-3-11(4-7-19)21-8-2-5-18;/h9,11,15H,2-8,18H2,1H3;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119664700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).