[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C18H29N3O3 — CID 129492752

IUPAC[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H29N3O3/c1-2-17-15(4-3-13-24-17)18(23)20-9-6-14(7-10-20)16-5-8-19-21(16)11-12-22/h5,8,14-15,17,22H,2-4,6-7,9-13H2,1H3/t15-,17-/m0/s1
InChIKeyRWXMFZBGSIDXHI-RDJZCZTQSA-N
MW335.45 g/mol
LogP1.79
Rot. Bonds5

About [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 129492752) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
PubChem CID129492752
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H29N3O3/c1-2-17-15(4-3-13-24-17)18(23)20-9-6-14(7-10-20)16-5-8-19-21(16)11-12-22/h5,8,14-15,17,22H,2-4,6-7,9-13H2,1H3/t15-,17-/m0/s1
InChIKeyRWXMFZBGSIDXHI-RDJZCZTQSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 154793910
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-[4-(2-propylpyrazol-3-yl)piperidin-1-yl]methanone
CID 166332406
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 97334827
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653
[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126779273
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 129491970
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 129492024
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 136520567

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 129492752) is [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RWXMFZBGSIDXHI-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-2-17-15(4-3-13-24-17)18(23)20-9-6-14(7-10-20)16-5-8-19-21(16)11-12-22/h5,8,14-15,17,22H,2-4,6-7,9-13H2,1H3/t15-,17-/m0/s1.
What are the key properties of [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129492752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).