[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

C23H27N3O2 — CID 126449690

IUPAC[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C23H27N3O2/c1-3-13-28-21-5-4-12-26(16-21)23(27)18-8-6-17(7-9-18)19-10-11-22-20(14-19)15-24-25(22)2/h6-11,14-15,21H,3-5,12-13,16H2,1-2H3/t21-/m0/s1
InChIKeyCNXGSEQVTSPFFL-NRFANRHFSA-N
MW377.49 g/mol
LogP4.27
Rot. Bonds5

About [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (PubChem CID 126449690) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
PubChem CID126449690
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C23H27N3O2/c1-3-13-28-21-5-4-12-26(16-21)23(27)18-8-6-17(7-9-18)19-10-11-22-20(14-19)15-24-25(22)2/h6-11,14-15,21H,3-5,12-13,16H2,1-2H3/t21-/m0/s1
InChIKeyCNXGSEQVTSPFFL-NRFANRHFSA-N
XLogP4.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-methylindazol-5-yl)phenyl]-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 126449691
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364
5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 126452673
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (CID 126449690) is [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is CCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(cnn4C)c3)cc2)C1.
What is the InChIKey of [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is CNXGSEQVTSPFFL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-13-28-21-5-4-12-26(16-21)23(27)18-8-6-17(7-9-18)19-10-11-22-20(14-19)15-24-25(22)2/h6-11,14-15,21H,3-5,12-13,16H2,1-2H3/t21-/m0/s1.
What are the key properties of [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 126449690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).