3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

C19H23N3O4S — CID 42216109

IUPAC3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)c3cscn3)C2)c1
InChIInChI=1S/C19H23N3O4S/c1-25-15-6-14(7-16(8-15)26-2)18(23)20-9-13-4-3-5-22(10-13)19(24)17-11-27-12-21-17/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyLWQCBIWNNKTXQO-CYBMUJFWSA-N
MW389.48 g/mol
LogP2.44
Rot. Bonds6

About 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 42216109) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID42216109
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)c3cscn3)C2)c1
InChIInChI=1S/C19H23N3O4S/c1-25-15-6-14(7-16(8-15)26-2)18(23)20-9-13-4-3-5-22(10-13)19(24)17-11-27-12-21-17/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyLWQCBIWNNKTXQO-CYBMUJFWSA-N
XLogP2.44
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
3,5-dimethoxy-N-[[1-(2-methylsulfanylacetyl)piperidin-3-yl]methyl]benzamide
CID 45199638
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
3,5-dimethoxy-N-[[1-(thian-4-yl)piperidin-3-yl]methyl]benzamide
CID 45252489
4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 131912931
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
[(3S)-1-benzoylpiperidin-3-yl]methyl 1,3-thiazole-4-carboxylate
CID 96528135
3,5-dimethoxy-N-[[(3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 97277347
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (CID 42216109) is 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)c3cscn3)C2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is LWQCBIWNNKTXQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-25-15-6-14(7-16(8-15)26-2)18(23)20-9-13-4-3-5-22(10-13)19(24)17-11-27-12-21-17/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).