2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C24H30N4O4 — CID 110082922

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCCO2)N1CCC(c2[nH]ncc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(15-17-3-4-21-19(14-17)2-1-11-32-21)27-7-5-18(6-8-27)23-20(16-25-26-23)24(30)28-9-12-31-13-10-28/h3-4,14,16,18H,1-2,5-13,15H2,(H,25,26)
InChIKeyIGYPTOPMUWCTJY-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.16
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 110082922) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID110082922
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCCO2)N1CCC(c2[nH]ncc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(15-17-3-4-21-19(14-17)2-1-11-32-21)27-7-5-18(6-8-27)23-20(16-25-26-23)24(30)28-9-12-31-13-10-28/h3-4,14,16,18H,1-2,5-13,15H2,(H,25,26)
InChIKeyIGYPTOPMUWCTJY-UHFFFAOYSA-N
XLogP2.16
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110807578
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803001
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815539
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815795
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815910
2-(3,4-dihydro-2H-chromen-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110771138
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110084472

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 110082922) is 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is O=C(Cc1ccc2c(c1)CCCO2)N1CCC(c2[nH]ncc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is IGYPTOPMUWCTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-22(15-17-3-4-21-19(14-17)2-1-11-32-21)27-7-5-18(6-8-27)23-20(16-25-26-23)24(30)28-9-12-31-13-10-28/h3-4,14,16,18H,1-2,5-13,15H2,(H,25,26).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110082922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).