N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide

C15H23N3O2S — CID 53149577

IUPACN-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCC(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O2S/c1-3-14(20)18-8-4-5-12(9-18)15-17-13(10-21-15)6-7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyDPFSJHRRCIPDQV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide

N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 53149577) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID53149577
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCC(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O2S/c1-3-14(20)18-8-4-5-12(9-18)15-17-13(10-21-15)6-7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyDPFSJHRRCIPDQV-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189152
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N,N-diethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819395
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49440653
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 53149577) is N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide is CCC(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1.
What is the InChIKey of N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is DPFSJHRRCIPDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-14(20)18-8-4-5-12(9-18)15-17-13(10-21-15)6-7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 53149577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).