N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C22H31N3O3S — CID 24793288

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
InChIKeyRIXHLKADIMJEOT-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.95
Rot. Bonds7

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24793288) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24793288
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
InChIKeyRIXHLKADIMJEOT-UHFFFAOYSA-N
XLogP3.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24793288) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is RIXHLKADIMJEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 417.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24793288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).