4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

C18H22N4O3S — CID 86986741

IUPAC4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)Nc2nc(C)cs2)CC1
InChIInChI=1S/C18H22N4O3S/c1-12-11-26-17(19-12)21-18(24)22-9-7-13(8-10-22)16(23)20-14-5-3-4-6-15(14)25-2/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)(H,19,21,24)
InChIKeyPEIMLBKWNALDKE-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.34
Rot. Bonds4

About 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 86986741) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID86986741
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)Nc2nc(C)cs2)CC1
InChIInChI=1S/C18H22N4O3S/c1-12-11-26-17(19-12)21-18(24)22-9-7-13(8-10-22)16(23)20-14-5-3-4-6-15(14)25-2/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)(H,19,21,24)
InChIKeyPEIMLBKWNALDKE-UHFFFAOYSA-N
XLogP3.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973454
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951124
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (CID 86986741) is 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)Nc2nc(C)cs2)CC1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is PEIMLBKWNALDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-11-26-17(19-12)21-18(24)22-9-7-13(8-10-22)16(23)20-14-5-3-4-6-15(14)25-2/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)(H,19,21,24).
What are the key properties of 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86986741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).