1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone

C18H23N3O — CID 97101247

IUPAC1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(14-16-11-12-19-20-16)21-13-5-4-8-17(21)10-9-15-6-2-1-3-7-15/h1-3,6-7,11-12,17H,4-5,8-10,13-14H2,(H,19,20)/t17-/m0/s1
InChIKeyVOGGSRPKEBJPDL-KRWDZBQOSA-N
MW297.40 g/mol
LogP2.97
Rot. Bonds5

About 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone

1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 97101247) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
PubChem CID97101247
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(14-16-11-12-19-20-16)21-13-5-4-8-17(21)10-9-15-6-2-1-3-7-15/h1-3,6-7,11-12,17H,4-5,8-10,13-14H2,(H,19,20)/t17-/m0/s1
InChIKeyVOGGSRPKEBJPDL-KRWDZBQOSA-N
XLogP2.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963
[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70780089
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone (CID 97101247) is 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone is O=C(Cc1ccn[nH]1)N1CCCC[C@H]1CCc1ccccc1.
What is the InChIKey of 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is VOGGSRPKEBJPDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(14-16-11-12-19-20-16)21-13-5-4-8-17(21)10-9-15-6-2-1-3-7-15/h1-3,6-7,11-12,17H,4-5,8-10,13-14H2,(H,19,20)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone?
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 297.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 97101247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).