4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C16H28N4O — CID 79231351

IUPAC4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2c(C)nn(C)c2C)CCNCC1
InChIInChI=1S/C16H28N4O/c1-5-6-16(7-9-17-10-8-16)15(21)18-11-14-12(2)19-20(4)13(14)3/h17H,5-11H2,1-4H3,(H,18,21)
InChIKeyZECSUNZKXIRLSS-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.82
Rot. Bonds5

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

4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 79231351) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID79231351
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2c(C)nn(C)c2C)CCNCC1
InChIInChI=1S/C16H28N4O/c1-5-6-16(7-9-17-10-8-16)15(21)18-11-14-12(2)19-20(4)13(14)3/h17H,5-11H2,1-4H3,(H,18,21)
InChIKeyZECSUNZKXIRLSS-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725175
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592059
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
CID 167870261
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 110437942
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 63129181
4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 65065061
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570580

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 79231351) is 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCC1(C(=O)NCc2c(C)nn(C)c2C)CCNCC1.
What is the InChIKey of 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZECSUNZKXIRLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-16(7-9-17-10-8-16)15(21)18-11-14-12(2)19-20(4)13(14)3/h17H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 79231351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).