1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid

C16H25N3O3 — CID 122117799

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)n(C(C)CC(=O)N2CC(C)CC(C(=O)O)C2)n1
InChIInChI=1S/C16H25N3O3/c1-10-5-14(16(21)22)9-18(8-10)15(20)7-13(4)19-12(3)6-11(2)17-19/h6,10,13-14H,5,7-9H2,1-4H3,(H,21,22)
InChIKeyMKZIPQYDSZVVFH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid

1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117799) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117799
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)n(C(C)CC(=O)N2CC(C)CC(C(=O)O)C2)n1
InChIInChI=1S/C16H25N3O3/c1-10-5-14(16(21)22)9-18(8-10)15(20)7-13(4)19-12(3)6-11(2)17-19/h6,10,13-14H,5,7-9H2,1-4H3,(H,21,22)
InChIKeyMKZIPQYDSZVVFH-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepane-1-carbonyl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46957824
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744
2-[1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178177
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46339583
(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124610502
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 167871605
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-piperidin-1-ylbutanoate
CID 4520468
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118440
1-[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118066
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
CID 92602996

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122117799) is 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid is Cc1cc(C)n(C(C)CC(=O)N2CC(C)CC(C(=O)O)C2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is MKZIPQYDSZVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-5-14(16(21)22)9-18(8-10)15(20)7-13(4)19-12(3)6-11(2)17-19/h6,10,13-14H,5,7-9H2,1-4H3,(H,21,22).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).