1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

C18H25N3O5 — CID 120534157

IUPAC1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C18H25N3O5/c1-12(2)26-15-8-4-7-14(19-15)17(23)20(3)11-16(22)21-9-5-6-13(10-21)18(24)25/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,24,25)
InChIKeyABZFVSZHLLBGJK-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 120534157) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID120534157
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C18H25N3O5/c1-12(2)26-15-8-4-7-14(19-15)17(23)20(3)11-16(22)21-9-5-6-13(10-21)18(24)25/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,24,25)
InChIKeyABZFVSZHLLBGJK-UHFFFAOYSA-N
XLogP1.26
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129470384
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129466439
(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129468518
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-[2-[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534178
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
(3R)-1-[2-[(2-bromo-5-methoxybenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 97259694
1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534260
1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371
1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 137031893

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 120534157) is 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is CC(C)Oc1cccc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is ABZFVSZHLLBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12(2)26-15-8-4-7-14(19-15)17(23)20(3)11-16(22)21-9-5-6-13(10-21)18(24)25/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,24,25).
What are the key properties of 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).