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

C21H28N4O3S — CID 49448704

IUPACN-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)C(C)N2CCC(NC(=O)c3scnc3C)CC2)c1
InChIInChI=1S/C21H28N4O3S/c1-14-19(29-13-23-14)21(27)24-17-7-9-25(10-8-17)15(2)20(26)22-12-16-5-4-6-18(11-16)28-3/h4-6,11,13,15,17H,7-10,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyLGUGAWXGMDTJPE-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.36
Rot. Bonds7

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

N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49448704) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49448704
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)C(C)N2CCC(NC(=O)c3scnc3C)CC2)c1
InChIInChI=1S/C21H28N4O3S/c1-14-19(29-13-23-14)21(27)24-17-7-9-25(10-8-17)15(2)20(26)22-12-16-5-4-6-18(11-16)28-3/h4-6,11,13,15,17H,7-10,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyLGUGAWXGMDTJPE-UHFFFAOYSA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 31933904
3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943118
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55526128
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134019664
N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33108751
3-methoxy-N-[1-[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943124
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565579
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 122278869
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49448704) is N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(CNC(=O)C(C)N2CCC(NC(=O)c3scnc3C)CC2)c1.
What is the InChIKey of N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LGUGAWXGMDTJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-14-19(29-13-23-14)21(27)24-17-7-9-25(10-8-17)15(2)20(26)22-12-16-5-4-6-18(11-16)28-3/h4-6,11,13,15,17H,7-10,12H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).