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

C17H22N6O3 — CID 110268862

IUPAC[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CCCCN2C(=O)c2ccn[nH]2)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H22N6O3/c24-16(22-7-9-26-10-8-22)14-11-13(20-21-14)15-3-1-2-6-23(15)17(25)12-4-5-18-19-12/h4-5,11,15H,1-3,6-10H2,(H,18,19)(H,20,21)
InChIKeyURKNVRKNCCIKRM-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.97
Rot. Bonds3

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

[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110268862) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110268862
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CCCCN2C(=O)c2ccn[nH]2)[nH]n1)N1CCOCC1
InChIInChI=1S/C17H22N6O3/c24-16(22-7-9-26-10-8-22)14-11-13(20-21-14)15-3-1-2-6-23(15)17(25)12-4-5-18-19-12/h4-5,11,15H,1-3,6-10H2,(H,18,19)(H,20,21)
InChIKeyURKNVRKNCCIKRM-UHFFFAOYSA-N
XLogP0.97
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
morpholin-4-yl-[5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840395
morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840524
morpholin-4-yl-(5-piperidin-2-yl-1H-pyrazol-3-yl)methanone
CID 110085527
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942

Frequently Asked Questions

What is the IUPAC name of [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110268862) is [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1cc(C2CCCCN2C(=O)c2ccn[nH]2)[nH]n1)N1CCOCC1.
What is the InChIKey of [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is URKNVRKNCCIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-16(22-7-9-26-10-8-22)14-11-13(20-21-14)15-3-1-2-6-23(15)17(25)12-4-5-18-19-12/h4-5,11,15H,1-3,6-10H2,(H,18,19)(H,20,21).
What are the key properties of [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110268862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).