1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C16H23N5O4 — CID 122011576

IUPAC1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCn1nccc1N1CCCC(NC(=O)N2CCCC(C(=O)O)C2)C1=O
InChIInChI=1S/C16H23N5O4/c1-19-13(6-7-17-19)21-9-3-5-12(14(21)22)18-16(25)20-8-2-4-11(10-20)15(23)24/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,25)(H,23,24)
InChIKeyAQUFIEVWAIUBHF-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.42
Rot. Bonds3

About 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122011576) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122011576
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCn1nccc1N1CCCC(NC(=O)N2CCCC(C(=O)O)C2)C1=O
InChIInChI=1S/C16H23N5O4/c1-19-13(6-7-17-19)21-9-3-5-12(14(21)22)18-16(25)20-8-2-4-11(10-20)15(23)24/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,25)(H,23,24)
InChIKeyAQUFIEVWAIUBHF-UHFFFAOYSA-N
XLogP0.42
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120954
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012001
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122003176
(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128970396
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012411

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122011576) is 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is Cn1nccc1N1CCCC(NC(=O)N2CCCC(C(=O)O)C2)C1=O.
What is the InChIKey of 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is AQUFIEVWAIUBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-19-13(6-7-17-19)21-9-3-5-12(14(21)22)18-16(25)20-8-2-4-11(10-20)15(23)24/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,25)(H,23,24).
What are the key properties of 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122011576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).