N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C11H18N4O — CID 43543662

IUPACN-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCNCC2)cn1
InChIInChI=1S/C11H18N4O/c1-2-15-8-10(7-13-15)14-11(16)9-3-5-12-6-4-9/h7-9,12H,2-6H2,1H3,(H,14,16)
InChIKeyQIVHKKOQDOHOLU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 43543662) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID43543662
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCNCC2)cn1
InChIInChI=1S/C11H18N4O/c1-2-15-8-10(7-13-15)14-11(16)9-3-5-12-6-4-9/h7-9,12H,2-6H2,1H3,(H,14,16)
InChIKeyQIVHKKOQDOHOLU-UHFFFAOYSA-N
XLogP0.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 43543662) is N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCNCC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is QIVHKKOQDOHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-8-10(7-13-15)14-11(16)9-3-5-12-6-4-9/h7-9,12H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43543662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).