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

C14H22N4O2 — CID 97465240

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2ccn(C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m0/s1
InChIKeyRRUNTNIAMBBHRB-QWRGUYRKSA-N
MW278.36 g/mol
LogP0.65
Rot. Bonds3

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

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 97465240) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
PubChem CID97465240
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2ccn(C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m0/s1
InChIKeyRRUNTNIAMBBHRB-QWRGUYRKSA-N
XLogP0.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 91945727
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465252
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945694
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 43002406
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide (CID 97465240) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide is C[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2ccn(C)n2)C1.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RRUNTNIAMBBHRB-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.65, 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]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).