2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C18H21N3O — CID 124605887

IUPAC2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-16(12-21)17-8-9-19-20-17/h6-9,11,16H,1-5,10,12H2,(H,19,20)/t16-/m1/s1
InChIKeyPIXWWMRAHUNOLZ-MRXNPFEDSA-N
MW295.39 g/mol
LogP2.92
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124605887) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124605887
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-16(12-21)17-8-9-19-20-17/h6-9,11,16H,1-5,10,12H2,(H,19,20)/t16-/m1/s1
InChIKeyPIXWWMRAHUNOLZ-MRXNPFEDSA-N
XLogP2.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126432495
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100669470
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124605887) is 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is PIXWWMRAHUNOLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-16(12-21)17-8-9-19-20-17/h6-9,11,16H,1-5,10,12H2,(H,19,20)/t16-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 295.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124605887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).