N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C23H32N4O2S — CID 162435050

IUPACN-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(N3CCC(N4CCC[C@@H](C)C4)CC3)s2)c1
InChIInChI=1S/C23H32N4O2S/c1-17-5-4-10-27(16-17)19-8-11-26(12-9-19)23-25-15-21(30-23)22(28)24-14-18-6-3-7-20(13-18)29-2/h3,6-7,13,15,17,19H,4-5,8-12,14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyFSNUCFVFZONFJE-QGZVFWFLSA-N
MW428.60 g/mol
LogP3.78
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 162435050) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID162435050
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(N3CCC(N4CCC[C@@H](C)C4)CC3)s2)c1
InChIInChI=1S/C23H32N4O2S/c1-17-5-4-10-27(16-17)19-8-11-26(12-9-19)23-25-15-21(30-23)22(28)24-14-18-6-3-7-20(13-18)29-2/h3,6-7,13,15,17,19H,4-5,8-12,14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyFSNUCFVFZONFJE-QGZVFWFLSA-N
XLogP3.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 162435050) is N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is COc1cccc(CNC(=O)c2cnc(N3CCC(N4CCC[C@@H](C)C4)CC3)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FSNUCFVFZONFJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-17-5-4-10-27(16-17)19-8-11-26(12-9-19)23-25-15-21(30-23)22(28)24-14-18-6-3-7-20(13-18)29-2/h3,6-7,13,15,17,19H,4-5,8-12,14,16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162435050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).