2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

C23H32N4O3S — CID 117088724

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)s2)C1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)22(29)18-7-6-14-27(16-18)23-25-15-20(31-23)21(28)24-13-12-17-8-10-19(30-3)11-9-17/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,24,28)
InChIKeyIKBFUPCMZRRLAP-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.21
Rot. Bonds9

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 117088724) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID117088724
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)s2)C1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)22(29)18-7-6-14-27(16-18)23-25-15-20(31-23)21(28)24-13-12-17-8-10-19(30-3)11-9-17/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,24,28)
InChIKeyIKBFUPCMZRRLAP-UHFFFAOYSA-N
XLogP3.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117088651
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
N-[2-(4-chlorophenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 22422121
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-[2-(4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117086083
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 15992581

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 117088724) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)s2)C1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IKBFUPCMZRRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-4-26(5-2)22(29)18-7-6-14-27(16-18)23-25-15-20(31-23)21(28)24-13-12-17-8-10-19(30-3)11-9-17/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,24,28).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).