N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C19H29N3O2S — CID 71841800

IUPACN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C19H29N3O2S/c1-2-17(23)20-10-9-16-13-25-18(21-16)15-8-5-11-22(12-15)19(24)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,20,23)
InChIKeyQZANEVQMFFGACS-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841800) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841800
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C19H29N3O2S/c1-2-17(23)20-10-9-16-13-25-18(21-16)15-8-5-11-22(12-15)19(24)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,20,23)
InChIKeyQZANEVQMFFGACS-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841800) is N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is QZANEVQMFFGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-2-17(23)20-10-9-16-13-25-18(21-16)15-8-5-11-22(12-15)19(24)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,20,23).
What are the key properties of N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 363.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).