[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

C23H30N4O3 — CID 78873697

IUPAC[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H30N4O3/c1-2-21-20(16-24-27(21)17-18-6-4-3-5-7-18)23(29)25-10-8-19(9-11-25)22(28)26-12-14-30-15-13-26/h3-7,16,19H,2,8-15,17H2,1H3
InChIKeyFVNBSWBSFVQAHJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.20
Rot. Bonds5

About [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 78873697) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID78873697
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H30N4O3/c1-2-21-20(16-24-27(21)17-18-6-4-3-5-7-18)23(29)25-10-8-19(9-11-25)22(28)26-12-14-30-15-13-26/h3-7,16,19H,2,8-15,17H2,1H3
InChIKeyFVNBSWBSFVQAHJ-UHFFFAOYSA-N
XLogP2.20
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120814271
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 78873697) is [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is CCc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FVNBSWBSFVQAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-21-20(16-24-27(21)17-18-6-4-3-5-7-18)23(29)25-10-8-19(9-11-25)22(28)26-12-14-30-15-13-26/h3-7,16,19H,2,8-15,17H2,1H3.
What are the key properties of [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 410.52 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).