2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide

C20H33N5O3 — CID 155505081

IUPAC2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H33N5O3/c1-15(2)20(27)21-12-18(26)25-9-10-28-17(14-24-7-5-4-6-8-24)19(25)16-11-22-23(3)13-16/h11,13,15,17,19H,4-10,12,14H2,1-3H3,(H,21,27)/t17-,19-/m0/s1
InChIKeyHYQZXYJKMYPURW-HKUYNNGSSA-N
MW391.52 g/mol
LogP0.95
Rot. Bonds6

About 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide

2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide (PubChem CID 155505081) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
PubChem CID155505081
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H33N5O3/c1-15(2)20(27)21-12-18(26)25-9-10-28-17(14-24-7-5-4-6-8-24)19(25)16-11-22-23(3)13-16/h11,13,15,17,19H,4-10,12,14H2,1-3H3,(H,21,27)/t17-,19-/m0/s1
InChIKeyHYQZXYJKMYPURW-HKUYNNGSSA-N
XLogP0.95
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-morpholinecarboxamide
CID 56917263
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
1-[1-(4-fluorocyclohexyl)ethyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
CID 132324966
rel-(2S,3S)-3-(1-methyl-1H-pyrazol-4-yl)-2-(1-piperidinylmethyl)-4-(4,4,4-trifluorobutanoyl)morpholine
CID 154818242
N,N-dimethyl-1-[rel-(2S,3S)-3-(1-methyl-1H-pyrazol-4-yl)-4-(4,4,4-trifluorobutanoyl)-2-morpholinyl]methanamine
CID 155496721
1-(2-Ethylmorpholin-4-yl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72044842
1,4-di(propan-2-yl)piperidine;3-methyl-1-propan-2-yloxybutane;4-(2-methylpropyl)-1-propan-2-ylpyrazole;N-(2-propan-2-yloxyethyl)propan-2-amine;2,3,4-trimethylpentane
CID 160187924
ethyl 2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-1-yl]acetate
CID 178258822
tert-butyl N-[(1R)-2-[(3R,5R)-3-methoxy-5-methylpiperidin-1-yl]-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 178258851
tert-butyl N-[(1R)-2-[(3R,5R)-3-methoxy-5-methylpiperidin-1-yl]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]carbamate
CID 178258863
N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 28360339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide (CID 155505081) is 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide is CC(C)C(=O)NCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide?
The InChIKey is HYQZXYJKMYPURW-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-15(2)20(27)21-12-18(26)25-9-10-28-17(14-24-7-5-4-6-8-24)19(25)16-11-22-23(3)13-16/h11,13,15,17,19H,4-10,12,14H2,1-3H3,(H,21,27)/t17-,19-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide?
2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 155505081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).