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

C14H22N2O2S — CID 79734997

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCCN)CC2)s1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-13(19-11)14(17)16-8-5-12(6-9-16)18-10-2-7-15/h3-4,12H,2,5-10,15H2,1H3
InChIKeyDMMFCYBIUOAIOZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.03
Rot. Bonds5

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

[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 79734997) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID79734997
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCCN)CC2)s1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-13(19-11)14(17)16-8-5-12(6-9-16)18-10-2-7-15/h3-4,12H,2,5-10,15H2,1H3
InChIKeyDMMFCYBIUOAIOZ-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119663842
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736720
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 119664700
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 119663063
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 119663008

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 79734997) is [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(OCCCN)CC2)s1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is DMMFCYBIUOAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-3-4-13(19-11)14(17)16-8-5-12(6-9-16)18-10-2-7-15/h3-4,12H,2,5-10,15H2,1H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79734997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).