[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

C19H30N4O3 — CID 125161347

IUPAC[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O3/c1-4-23-17(12-16(20-23)14(2)3)19(25)22-7-5-6-15(13-22)18(24)21-8-10-26-11-9-21/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPBTPCMLHPSBHEV-OAHLLOKOSA-N
MW362.47 g/mol
LogP1.74
Rot. Bonds4

About [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 125161347) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID125161347
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O3/c1-4-23-17(12-16(20-23)14(2)3)19(25)22-7-5-6-15(13-22)18(24)21-8-10-26-11-9-21/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPBTPCMLHPSBHEV-OAHLLOKOSA-N
XLogP1.74
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
CID 47040772
[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 70751403
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875316
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 125161347) is [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PBTPCMLHPSBHEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-23-17(12-16(20-23)14(2)3)19(25)22-7-5-6-15(13-22)18(24)21-8-10-26-11-9-21/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 362.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 125161347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).