1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide

C16H26N4O2S — CID 70747790

IUPAC1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C16H26N4O2S/c1-4-13(16-18-10(2)11(3)23-16)19-15(22)12-5-7-20(8-6-12)9-14(17)21/h12-13H,4-9H2,1-3H3,(H2,17,21)(H,19,22)
InChIKeyUCPSIOWKHPLOSB-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 70747790) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID70747790
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C16H26N4O2S/c1-4-13(16-18-10(2)11(3)23-16)19-15(22)12-5-7-20(8-6-12)9-14(17)21/h12-13H,4-9H2,1-3H3,(H2,17,21)(H,19,22)
InChIKeyUCPSIOWKHPLOSB-UHFFFAOYSA-N
XLogP1.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 70737044
1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766836
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 95226256
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide (CID 70747790) is 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is UCPSIOWKHPLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-4-13(16-18-10(2)11(3)23-16)19-15(22)12-5-7-20(8-6-12)9-14(17)21/h12-13H,4-9H2,1-3H3,(H2,17,21)(H,19,22).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 70747790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).