N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

C22H31N3O4S — CID 30186058

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc(OC)c1OC
InChIInChI=1S/C22H31N3O4S/c1-15-7-9-25(10-8-15)13-17-14-30-22(23-17)24-20(26)6-5-16-11-18(27-2)21(29-4)19(12-16)28-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,23,24,26)
InChIKeyQBJUDTPRABWVOS-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.97
Rot. Bonds9

About N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 30186058) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID30186058
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc(OC)c1OC
InChIInChI=1S/C22H31N3O4S/c1-15-7-9-25(10-8-15)13-17-14-30-22(23-17)24-20(26)6-5-16-11-18(27-2)21(29-4)19(12-16)28-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,23,24,26)
InChIKeyQBJUDTPRABWVOS-UHFFFAOYSA-N
XLogP3.97
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
3,4-dimethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-[(E)-prop-1-enyl]benzamide
CID 24611027
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 30185216
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216368
4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 30186906
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868762
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
2-(2-cyanophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30186109

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 30186058) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is QBJUDTPRABWVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-15-7-9-25(10-8-15)13-17-14-30-22(23-17)24-20(26)6-5-16-11-18(27-2)21(29-4)19(12-16)28-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,23,24,26).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 433.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 30186058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).