1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C18H28N4O4 — CID 119235877

IUPAC1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H28N4O4/c1-18(2,3)14-10-13(21(5)19-14)16(24)20(4)11-15(23)22-8-6-12(7-9-22)17(25)26/h10,12H,6-9,11H2,1-5H3,(H,25,26)
InChIKeyQMRXPXKDCJEOHX-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235877) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235877
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H28N4O4/c1-18(2,3)14-10-13(21(5)19-14)16(24)20(4)11-15(23)22-8-6-12(7-9-22)17(25)26/h10,12H,6-9,11H2,1-5H3,(H,25,26)
InChIKeyQMRXPXKDCJEOHX-UHFFFAOYSA-N
XLogP1.11
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 119656119
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721
1-[2-[3-(4-tert-butylphenyl)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236178
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
3-tert-butyl-N-[(3,4-dichlorophenyl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 78893100
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235800
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236286

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119235877) is 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QMRXPXKDCJEOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-18(2,3)14-10-13(21(5)19-14)16(24)20(4)11-15(23)22-8-6-12(7-9-22)17(25)26/h10,12H,6-9,11H2,1-5H3,(H,25,26).
What are the key properties of 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).