N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide

C12H19N5O2 — CID 54863112

IUPACN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)C2CCNCC2)cn1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-2-4-14-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19)
InChIKeyHKESLNKGBUADJV-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.43
Rot. Bonds4

About N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 54863112) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID54863112
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)C2CCNCC2)cn1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-2-4-14-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19)
InChIKeyHKESLNKGBUADJV-UHFFFAOYSA-N
XLogP-0.43
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide (CID 54863112) is N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide is CNC(=O)Cn1cc(NC(=O)C2CCNCC2)cn1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is HKESLNKGBUADJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-2-4-14-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide?
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 54863112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).