1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C19H27N3O5 — CID 120525498

IUPAC1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(C)Oc1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C19H27N3O5/c1-4-13(2)27-16-11-15(5-8-20-16)18(24)21(3)12-17(23)22-9-6-14(7-10-22)19(25)26/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3,(H,25,26)
InChIKeyILOVLPGCGJDCSX-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.65
Rot. Bonds7

About 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120525498) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID120525498
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(C)Oc1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C19H27N3O5/c1-4-13(2)27-16-11-15(5-8-20-16)18(24)21(3)12-17(23)22-9-6-14(7-10-22)19(25)26/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3,(H,25,26)
InChIKeyILOVLPGCGJDCSX-UHFFFAOYSA-N
XLogP1.65
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535265
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120525541
1-[2-[methyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236501

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 120525498) is 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is CCC(C)Oc1cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)ccn1.
What is the InChIKey of 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ILOVLPGCGJDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-4-13(2)27-16-11-15(5-8-20-16)18(24)21(3)12-17(23)22-9-6-14(7-10-22)19(25)26/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3,(H,25,26).
What are the key properties of 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120525498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).