1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

C21H26N4O4 — CID 95840549

IUPAC1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C21H26N4O4/c26-20(15-29-17-6-2-1-3-7-17)25-8-4-5-16(14-25)18-13-19(23-22-18)21(27)24-9-11-28-12-10-24/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,22,23)/t16-/m0/s1
InChIKeyZEJJNGQGRMQNMY-INIZCTEOSA-N
MW398.46 g/mol
LogP1.67
Rot. Bonds5

About 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 95840549) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID95840549
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C21H26N4O4/c26-20(15-29-17-6-2-1-3-7-17)25-8-4-5-16(14-25)18-13-19(23-22-18)21(27)24-9-11-28-12-10-24/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,22,23)/t16-/m0/s1
InChIKeyZEJJNGQGRMQNMY-INIZCTEOSA-N
XLogP1.67
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
[5-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840400
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840526
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 110268922
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (CID 95840549) is 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1.
What is the InChIKey of 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is ZEJJNGQGRMQNMY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-20(15-29-17-6-2-1-3-7-17)25-8-4-5-16(14-25)18-13-19(23-22-18)21(27)24-9-11-28-12-10-24/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 398.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 95840549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).