1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

C13H21N5O2 — CID 36800338

IUPAC1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(N)=O)CC2)n(C)n1
InChIInChI=1S/C13H21N5O2/c1-9-7-11(17(2)16-9)15-12(19)8-18-5-3-10(4-6-18)13(14)20/h7,10H,3-6,8H2,1-2H3,(H2,14,20)(H,15,19)
InChIKeyGIEJLEIPNSPHNU-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.14
Rot. Bonds4

About 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 36800338) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID36800338
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(N)=O)CC2)n(C)n1
InChIInChI=1S/C13H21N5O2/c1-9-7-11(17(2)16-9)15-12(19)8-18-5-3-10(4-6-18)13(14)20/h7,10H,3-6,8H2,1-2H3,(H2,14,20)(H,15,19)
InChIKeyGIEJLEIPNSPHNU-UHFFFAOYSA-N
XLogP-0.14
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 36800338) is 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is Cc1cc(NC(=O)CN2CCC(C(N)=O)CC2)n(C)n1.
What is the InChIKey of 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is GIEJLEIPNSPHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-7-11(17(2)16-9)15-12(19)8-18-5-3-10(4-6-18)13(14)20/h7,10H,3-6,8H2,1-2H3,(H2,14,20)(H,15,19).
What are the key properties of 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 36800338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).