(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide

C18H22N4O3S — CID 126447621

IUPAC(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)N2CCC[C@H](C(N)=O)C2)s1
InChIInChI=1S/C18H22N4O3S/c1-25-15-7-3-2-6-14(15)17-20-9-13(26-17)10-21-18(24)22-8-4-5-12(11-22)16(19)23/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H2,19,23)(H,21,24)/t12-/m0/s1
InChIKeyAGIFIVFWNAUGOC-LBPRGKRZSA-N
MW374.47 g/mol
LogP2.23
Rot. Bonds5

About (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide

(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 126447621) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
PubChem CID126447621
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)N2CCC[C@H](C(N)=O)C2)s1
InChIInChI=1S/C18H22N4O3S/c1-25-15-7-3-2-6-14(15)17-20-9-13(26-17)10-21-18(24)22-8-4-5-12(11-22)16(19)23/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H2,19,23)(H,21,24)/t12-/m0/s1
InChIKeyAGIFIVFWNAUGOC-LBPRGKRZSA-N
XLogP2.23
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
CID 154775414
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70754165
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131915312
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide (CID 126447621) is (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide is COc1ccccc1-c1ncc(CNC(=O)N2CCC[C@H](C(N)=O)C2)s1.
What is the InChIKey of (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is AGIFIVFWNAUGOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-25-15-7-3-2-6-14(15)17-20-9-13(26-17)10-21-18(24)22-8-4-5-12(11-22)16(19)23/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H2,19,23)(H,21,24)/t12-/m0/s1.
What are the key properties of (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide?
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 126447621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).