carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone

C16H18N2O3S — CID 160720748

IUPACcarbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCCC3)=C2)cs1.O=C=O
InChIInChI=1S/C15H18N2OS.CO2/c1-11-16-14(10-19-11)12-5-6-13(9-12)15(18)17-7-3-2-4-8-17;2-1-3/h5,9-10H,2-4,6-8H2,1H3;
InChIKeyRTBLRNFBRLXIFI-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.59
Rot. Bonds2

About carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone

carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone (PubChem CID 160720748) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Namecarbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone
PubChem CID160720748
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namecarbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCCC3)=C2)cs1.O=C=O
InChIInChI=1S/C15H18N2OS.CO2/c1-11-16-14(10-19-11)12-5-6-13(9-12)15(18)17-7-3-2-4-8-17;2-1-3/h5,9-10H,2-4,6-8H2,1H3;
InChIKeyRTBLRNFBRLXIFI-UHFFFAOYSA-N
XLogP2.59
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone (CID 160720748) is carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone is Cc1nc(C2=CCC(C(=O)N3CCCCC3)=C2)cs1.O=C=O.
What is the InChIKey of carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone?
The InChIKey is RTBLRNFBRLXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.CO2/c1-11-16-14(10-19-11)12-5-6-13(9-12)15(18)17-7-3-2-4-8-17;2-1-3/h5,9-10H,2-4,6-8H2,1H3;.
What are the key properties of carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone?
carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 160720748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).