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

C12H20N4O — CID 80682539

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cc(CCNC(=O)C2CCNCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-15-16)2-7-14-12(17)11-3-5-13-6-4-11/h8-9,11,13H,2-7H2,1H3,(H,14,17)
InChIKeyMYYOSIRXZRVYHF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.08
Rot. Bonds4

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

N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 80682539) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID80682539
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cc(CCNC(=O)C2CCNCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-15-16)2-7-14-12(17)11-3-5-13-6-4-11/h8-9,11,13H,2-7H2,1H3,(H,14,17)
InChIKeyMYYOSIRXZRVYHF-UHFFFAOYSA-N
XLogP0.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 80682195
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986416
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
CID 169418153
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
(1S,3R,4R)-3-amino-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940977
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 80682539) is N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is Cn1cc(CCNC(=O)C2CCNCC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MYYOSIRXZRVYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-9-10(8-15-16)2-7-14-12(17)11-3-5-13-6-4-11/h8-9,11,13H,2-7H2,1H3,(H,14,17).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 80682539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).