(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

C20H30N6O2 — CID 155503181

IUPAC(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCCn1nccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H30N6O2/c1-3-26-17(7-8-21-26)20(27)25-11-12-28-18(15-24-9-5-4-6-10-24)19(25)16-13-22-23(2)14-16/h7-8,13-14,18-19H,3-6,9-12,15H2,1-2H3/t18-,19-/m0/s1
InChIKeyGEZHRIZUSPEBBP-OALUTQOASA-N
MW386.50 g/mol
LogP1.70
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155503181) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155503181
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCCn1nccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H30N6O2/c1-3-26-17(7-8-21-26)20(27)25-11-12-28-18(15-24-9-5-4-6-10-24)19(25)16-13-22-23(2)14-16/h7-8,13-14,18-19H,3-6,9-12,15H2,1-2H3/t18-,19-/m0/s1
InChIKeyGEZHRIZUSPEBBP-OALUTQOASA-N
XLogP1.70
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 155507859
[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 155503586
(1-methylpiperidin-4-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155506386
(2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155913679
(3-fluoro-2-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505512
(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499744
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
CID 155495620
3-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]benzonitrile
CID 155502193
2-methyl-N-[2-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]propanamide
CID 155505081
4-amino-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155507556
(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505259
2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 155499512

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155503181) is (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is CCn1nccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is GEZHRIZUSPEBBP-OALUTQOASA-N. The full InChI is InChI=1S/C20H30N6O2/c1-3-26-17(7-8-21-26)20(27)25-11-12-28-18(15-24-9-5-4-6-10-24)19(25)16-13-22-23(2)14-16/h7-8,13-14,18-19H,3-6,9-12,15H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155503181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).