4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

C16H27N3O2 — CID 65065061

IUPAC4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-6-16(15(20)21)7-9-19(10-8-16)11-14-12(2)17-18(4)13(14)3/h5-11H2,1-4H3,(H,20,21)
InChIKeySYSCNHJUHXCBIR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.50
Rot. Bonds5

About 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid

4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 65065061) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID65065061
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-6-16(15(20)21)7-9-19(10-8-16)11-14-12(2)17-18(4)13(14)3/h5-11H2,1-4H3,(H,20,21)
InChIKeySYSCNHJUHXCBIR-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141119
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127117
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953
pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903207
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068464
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 65065061) is 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is SYSCNHJUHXCBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-6-16(15(20)21)7-9-19(10-8-16)11-14-12(2)17-18(4)13(14)3/h5-11H2,1-4H3,(H,20,21).
What are the key properties of 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65065061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).