(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

C14H24N4O2 — CID 94122019

IUPAC(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1c([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-9-7-18(8-10(2)20-9)14(19)16-11(3)13-6-15-17(5)12(13)4/h6,9-11H,7-8H2,1-5H3,(H,16,19)/t9-,10-,11+/m1/s1
InChIKeyBBJCIMURQIDEMI-MXWKQRLJSA-N
MW280.37 g/mol
LogP1.61
Rot. Bonds2

About (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 94122019) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID94122019
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1c([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-9-7-18(8-10(2)20-9)14(19)16-11(3)13-6-15-17(5)12(13)4/h6,9-11H,7-8H2,1-5H3,(H,16,19)/t9-,10-,11+/m1/s1
InChIKeyBBJCIMURQIDEMI-MXWKQRLJSA-N
XLogP1.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 146084708
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 100844657
(1S,6S)-6-[[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51851312
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 94173692
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 146083360
2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 19468969
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 94122019) is (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is Cc1c([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1C.
What is the InChIKey of (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is BBJCIMURQIDEMI-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-7-18(8-10(2)20-9)14(19)16-11(3)13-6-15-17(5)12(13)4/h6,9-11H,7-8H2,1-5H3,(H,16,19)/t9-,10-,11+/m1/s1.
What are the key properties of (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 94122019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).