N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

C15H24N4O2 — CID 97465251

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-10-5-11(2)9-19(8-10)14(20)7-16-15(21)13-6-12(3)17-18(13)4/h6,10-11H,5,7-9H2,1-4H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyBWRMBRFQOQIKKM-QWRGUYRKSA-N
MW292.38 g/mol
LogP0.96
Rot. Bonds3

About N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 97465251) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID97465251
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-10-5-11(2)9-19(8-10)14(20)7-16-15(21)13-6-12(3)17-18(13)4/h6,10-11H,5,7-9H2,1-4H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyBWRMBRFQOQIKKM-QWRGUYRKSA-N
XLogP0.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 97465251) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)n(C)n1.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BWRMBRFQOQIKKM-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-5-11(2)9-19(8-10)14(20)7-16-15(21)13-6-12(3)17-18(13)4/h6,10-11H,5,7-9H2,1-4H3,(H,16,21)/t10-,11-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 97465251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).