piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone

C14H19N3O2S — CID 118766603

IUPACpiperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1cncs1)N1CCCCC1
InChIInChI=1S/C14H19N3O2S/c18-13(16-6-2-1-3-7-16)11-5-4-8-17(11)14(19)12-9-15-10-20-12/h9-11H,1-8H2/t11-/m0/s1
InChIKeySJRMBJHXIVFFSH-NSHDSACASA-N
MW293.39 g/mol
LogP1.76
Rot. Bonds2

About piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone

piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 118766603) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID118766603
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namepiperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1C(=O)c1cncs1)N1CCCCC1
InChIInChI=1S/C14H19N3O2S/c18-13(16-6-2-1-3-7-16)11-5-4-8-17(11)14(19)12-9-15-10-20-12/h9-11H,1-8H2/t11-/m0/s1
InChIKeySJRMBJHXIVFFSH-NSHDSACASA-N
XLogP1.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
CID 166186927
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
[(2S)-1-(3,5-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 118769671
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
CID 126815735
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
1-[(4aS,8aS)-8a-methyl-5-(1,3-thiazole-5-carbonyl)-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140196

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone (CID 118766603) is piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1C(=O)c1cncs1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is SJRMBJHXIVFFSH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13(16-6-2-1-3-7-16)11-5-4-8-17(11)14(19)12-9-15-10-20-12/h9-11H,1-8H2/t11-/m0/s1.
What are the key properties of piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone?
piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 293.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 118766603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).