N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

C16H23N3O2S — CID 42285852

IUPACN-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncsc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11-15(22-10-17-11)16(21)19-8-6-12(7-9-19)2-5-14(20)18-13-3-4-13/h10,12-13H,2-9H2,1H3,(H,18,20)
InChIKeyCIYUVWNNYZGETR-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42285852) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID42285852
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncsc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11-15(22-10-17-11)16(21)19-8-6-12(7-9-19)2-5-14(20)18-13-3-4-13/h10,12-13H,2-9H2,1H3,(H,18,20)
InChIKeyCIYUVWNNYZGETR-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (CID 42285852) is N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1ncsc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CIYUVWNNYZGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-15(22-10-17-11)16(21)19-8-6-12(7-9-19)2-5-14(20)18-13-3-4-13/h10,12-13H,2-9H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 321.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).