4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid

C16H25N5O4 — CID 122126620

IUPAC4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1)C(=O)O
InChIInChI=1S/C16H25N5O4/c1-16(2,14(23)24)5-6-18-15(25)21-7-3-4-10(9-21)11-8-12(13(17)22)20-19-11/h8,10H,3-7,9H2,1-2H3,(H2,17,22)(H,18,25)(H,19,20)(H,23,24)
InChIKeyZDPMPCXTJXZYMM-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.90
Rot. Bonds6

About 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid

4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid (PubChem CID 122126620) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
PubChem CID122126620
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1)C(=O)O
InChIInChI=1S/C16H25N5O4/c1-16(2,14(23)24)5-6-18-15(25)21-7-3-4-10(9-21)11-8-12(13(17)22)20-19-11/h8,10H,3-7,9H2,1-2H3,(H2,17,22)(H,18,25)(H,19,20)(H,23,24)
InChIKeyZDPMPCXTJXZYMM-UHFFFAOYSA-N
XLogP0.90
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514090
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514045

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid (CID 122126620) is 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid is CC(C)(CCNC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1)C(=O)O.
What is the InChIKey of 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid?
The InChIKey is ZDPMPCXTJXZYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-16(2,14(23)24)5-6-18-15(25)21-7-3-4-10(9-21)11-8-12(13(17)22)20-19-11/h8,10H,3-7,9H2,1-2H3,(H2,17,22)(H,18,25)(H,19,20)(H,23,24).
What are the key properties of 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid?
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid has a molecular weight of 351.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122126620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).