1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

C17H19N3O2S — CID 51090657

IUPAC1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C17H19N3O2S/c1-12(21)20-8-5-13(6-9-20)16(22)19-15-4-2-3-14(11-15)17-18-7-10-23-17/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,22)
InChIKeyCVIVVMWMTCUDDK-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.01
Rot. Bonds3

About 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 51090657) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID51090657
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C17H19N3O2S/c1-12(21)20-8-5-13(6-9-20)16(22)19-15-4-2-3-14(11-15)17-18-7-10-23-17/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,22)
InChIKeyCVIVVMWMTCUDDK-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 55991355
1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide
CID 49034903
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 126777615
1-acetyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]piperidine-4-carboxamide
CID 121036578
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 51090657) is 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is CVIVVMWMTCUDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(21)20-8-5-13(6-9-20)16(22)19-15-4-2-3-14(11-15)17-18-7-10-23-17/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 51090657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).