piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

C14H18N2O2S — CID 90510983

IUPACpiperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C14H18N2O2S/c17-13(15-6-2-1-3-7-15)11-9-16(10-11)14(18)12-5-4-8-19-12/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyMBIQNQCQNWBSKI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.83
Rot. Bonds2

About piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 90510983) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
PubChem CID90510983
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Namepiperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C14H18N2O2S/c17-13(15-6-2-1-3-7-15)11-9-16(10-11)14(18)12-5-4-8-19-12/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyMBIQNQCQNWBSKI-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511006
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (CID 90510983) is piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is O=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C1.
What is the InChIKey of piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The InChIKey is MBIQNQCQNWBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(15-6-2-1-3-7-15)11-9-16(10-11)14(18)12-5-4-8-19-12/h4-5,8,11H,1-3,6-7,9-10H2.
What are the key properties of piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 278.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 90510983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).