1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C16H23N3O4S — CID 119235721

IUPAC1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCc1ncc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C16H23N3O4S/c1-3-4-13-17-9-12(24-13)15(21)18(2)10-14(20)19-7-5-11(6-8-19)16(22)23/h9,11H,3-8,10H2,1-2H3,(H,22,23)
InChIKeyVPVDVWGUIDSQET-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.49
Rot. Bonds6

About 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235721) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235721
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCc1ncc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C16H23N3O4S/c1-3-4-13-17-9-12(24-13)15(21)18(2)10-14(20)19-7-5-11(6-8-19)16(22)23/h9,11H,3-8,10H2,1-2H3,(H,22,23)
InChIKeyVPVDVWGUIDSQET-UHFFFAOYSA-N
XLogP1.49
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119235721) is 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is CCCc1ncc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is VPVDVWGUIDSQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-4-13-17-9-12(24-13)15(21)18(2)10-14(20)19-7-5-11(6-8-19)16(22)23/h9,11H,3-8,10H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).