[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

C19H25N3O2 — CID 95866622

IUPAC[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H25N3O2/c23-16-4-2-10-22(13-16)15-7-11-21(12-8-15)19(24)17-5-1-3-14-6-9-20-18(14)17/h1,3,5-6,9,15-16,20,23H,2,4,7-8,10-13H2/t16-/m0/s1
InChIKeyWHLYHFGGWHBENX-INIZCTEOSA-N
MW327.43 g/mol
LogP2.23
Rot. Bonds2

About [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 95866622) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID95866622
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H25N3O2/c23-16-4-2-10-22(13-16)15-7-11-21(12-8-15)19(24)17-5-1-3-14-6-9-20-18(14)17/h1,3,5-6,9,15-16,20,23H,2,4,7-8,10-13H2/t16-/m0/s1
InChIKeyWHLYHFGGWHBENX-INIZCTEOSA-N
XLogP2.23
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone with MolForge

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 95709384
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56910306
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 155916152
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (CID 95866622) is [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is WHLYHFGGWHBENX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-16-4-2-10-22(13-16)15-7-11-21(12-8-15)19(24)17-5-1-3-14-6-9-20-18(14)17/h1,3,5-6,9,15-16,20,23H,2,4,7-8,10-13H2/t16-/m0/s1.
What are the key properties of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 95866622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).