(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

C18H22N4O3S — CID 177213594

IUPAC(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccncc3)cs2)C1
InChIInChI=1S/C18H22N4O3S/c1-25-11-17(23)22-8-2-3-14(10-22)18(24)20-9-16-21-15(12-26-16)13-4-6-19-7-5-13/h4-7,12,14H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyYTBUFJGCOZPUSF-AWEZNQCLSA-N
MW374.47 g/mol
LogP1.71
Rot. Bonds6

About (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 177213594) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID177213594
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccncc3)cs2)C1
InChIInChI=1S/C18H22N4O3S/c1-25-11-17(23)22-8-2-3-14(10-22)18(24)20-9-16-21-15(12-26-16)13-4-6-19-7-5-13/h4-7,12,14H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyYTBUFJGCOZPUSF-AWEZNQCLSA-N
XLogP1.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56586095
(3S)-1-(2-methylsulfanylacetyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213828
1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213554
(3S)-N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(2-fluoroethoxy)acetyl]piperidine-3-carboxamide
CID 177213583
(3S)-N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(2-pyrrolidin-1-ylethoxy)acetyl]piperidine-3-carboxamide
CID 177213743
(3S)-N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(methoxymethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxamide
CID 177213723
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110318230
(3S)-N-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-1-(pyrazole-1-carbonyl)piperidine-3-carboxamide
CID 177213649
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72862388
2-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245327
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97274269
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (CID 177213594) is (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is COCC(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccncc3)cs2)C1.
What is the InChIKey of (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YTBUFJGCOZPUSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-25-11-17(23)22-8-2-3-14(10-22)18(24)20-9-16-21-15(12-26-16)13-4-6-19-7-5-13/h4-7,12,14H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 177213594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).