[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone

C14H21N3OS — CID 66202716

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-11-3-8-19-13(11)14(18)17-6-4-16(5-7-17)12-9-15-10-12/h3,8,12,15H,2,4-7,9-10H2,1H3
InChIKeyCDAMGMPQEQWAOP-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.04
Rot. Bonds3

About [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone (PubChem CID 66202716) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
PubChem CID66202716
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-11-3-8-19-13(11)14(18)17-6-4-16(5-7-17)12-9-15-10-12/h3,8,12,15H,2,4-7,9-10H2,1H3
InChIKeyCDAMGMPQEQWAOP-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone (CID 66202716) is [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The InChIKey is CDAMGMPQEQWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-11-3-8-19-13(11)14(18)17-6-4-16(5-7-17)12-9-15-10-12/h3,8,12,15H,2,4-7,9-10H2,1H3.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 66202716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).