1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide

C21H29N5O3S — CID 84563490

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCOc1cccnc1NC(=O)C1CCCN(CC(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C21H29N5O3S/c1-4-11-29-17-8-5-9-22-19(17)25-20(28)16-7-6-10-26(12-16)13-18(27)24-21-23-14(2)15(3)30-21/h5,8-9,16H,4,6-7,10-13H2,1-3H3,(H,22,25,28)(H,23,24,27)
InChIKeyNZEAPGQLTQYKEG-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.23
Rot. Bonds8

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 84563490) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide
PubChem CID84563490
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCOc1cccnc1NC(=O)C1CCCN(CC(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C21H29N5O3S/c1-4-11-29-17-8-5-9-22-19(17)25-20(28)16-7-6-10-26(12-16)13-18(27)24-21-23-14(2)15(3)30-21/h5,8-9,16H,4,6-7,10-13H2,1-3H3,(H,22,25,28)(H,23,24,27)
InChIKeyNZEAPGQLTQYKEG-UHFFFAOYSA-N
XLogP3.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 84564183
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 84563681
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 84563668
N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563615
N-(2,3-dimethylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563614
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 84567078
N-(3-chloro-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563684
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 84566465
N-(2-bromo-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564176
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 84563698

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide (CID 84563490) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide is CCCOc1cccnc1NC(=O)C1CCCN(CC(=O)Nc2nc(C)c(C)s2)C1.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is NZEAPGQLTQYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-4-11-29-17-8-5-9-22-19(17)25-20(28)16-7-6-10-26(12-16)13-18(27)24-21-23-14(2)15(3)30-21/h5,8-9,16H,4,6-7,10-13H2,1-3H3,(H,22,25,28)(H,23,24,27).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 84563490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).