(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

C18H30N4O2 — CID 124848664

IUPAC(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@@H]1CN([C@@H](CC)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CCO1
InChIInChI=1S/C18H30N4O2/c1-3-14-13-21(11-12-24-14)15(4-2)18(23)22-10-6-5-7-16(22)17-19-8-9-20-17/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,19,20)/t14-,15+,16-/m1/s1
InChIKeyNFLMZBXGTURPAT-OWCLPIDISA-N
MW334.46 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one

(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 124848664) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID124848664
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@@H]1CN([C@@H](CC)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CCO1
InChIInChI=1S/C18H30N4O2/c1-3-14-13-21(11-12-24-14)15(4-2)18(23)22-10-6-5-7-16(22)17-19-8-9-20-17/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,19,20)/t14-,15+,16-/m1/s1
InChIKeyNFLMZBXGTURPAT-OWCLPIDISA-N
XLogP2.35
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124570245
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2R)-1-[(2R,3R)-2,3-dimethylthiomorpholin-4-yl]-2-[(2R)-2-ethylmorpholin-4-yl]butan-1-one
CID 124877037
(2S)-2-(1H-imidazol-2-yl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]piperidine-1-carboxamide
CID 97054254
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
cyclopropyl-[(3R)-3-[(2R)-2-(1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97084883
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124860819
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 100900321
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one (CID 124848664) is (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is CC[C@@H]1CN([C@@H](CC)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CCO1.
What is the InChIKey of (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is NFLMZBXGTURPAT-OWCLPIDISA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-14-13-21(11-12-24-14)15(4-2)18(23)22-10-6-5-7-16(22)17-19-8-9-20-17/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,19,20)/t14-,15+,16-/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one?
(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 124848664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).