1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

C16H23N3O2S — CID 97112090

IUPAC1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11(14-17-7-10-22-14)18(2)15(20)13-5-8-19(9-6-13)16(21)12-3-4-12/h7,10-13H,3-6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyOWDNJIQCRMZDJC-LLVKDONJSA-N
MW321.45 g/mol
LogP2.31
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 97112090) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID97112090
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11(14-17-7-10-22-14)18(2)15(20)13-5-8-19(9-6-13)16(21)12-3-4-12/h7,10-13H,3-6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyOWDNJIQCRMZDJC-LLVKDONJSA-N
XLogP2.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 112548091
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 91661725
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
(2S)-2-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]-methylamino]-2-thiophen-2-ylacetic acid
CID 97281771
1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402
1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97270903
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (CID 97112090) is 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is C[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OWDNJIQCRMZDJC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(14-17-7-10-22-14)18(2)15(20)13-5-8-19(9-6-13)16(21)12-3-4-12/h7,10-13H,3-6,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97112090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).