4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide

C13H22N4O — CID 114130706

IUPAC4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cnn(CCNC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-16-17(10-11)8-7-15-12(18)13(2)3-5-14-6-4-13/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyBKVPYCIDXCXZND-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.70
Rot. Bonds4

About 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide

4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 114130706) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID114130706
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cnn(CCNC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-16-17(10-11)8-7-15-12(18)13(2)3-5-14-6-4-13/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyBKVPYCIDXCXZND-UHFFFAOYSA-N
XLogP0.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide (CID 114130706) is 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide is Cc1cnn(CCNC(=O)C2(C)CCNCC2)c1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is BKVPYCIDXCXZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-9-16-17(10-11)8-7-15-12(18)13(2)3-5-14-6-4-13/h9-10,14H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide?
4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 114130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).