[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone

C25H37N3O2 — CID 97138323

IUPAC[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1
InChIInChI=1S/C25H37N3O2/c29-24-9-14-27(15-10-24)25(30)21-6-3-11-28(18-21)22-7-12-26(13-8-22)23-16-19-4-1-2-5-20(19)17-23/h1-2,4-5,21-24,29H,3,6-18H2/t21-/m0/s1
InChIKeyIVZCRAFITVSBOW-NRFANRHFSA-N
MW411.59 g/mol
LogP2.31
Rot. Bonds3

About [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone

[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 97138323) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID97138323
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1
InChIInChI=1S/C25H37N3O2/c29-24-9-14-27(15-10-24)25(30)21-6-3-11-28(18-21)22-7-12-26(13-8-22)23-16-19-4-1-2-5-20(19)17-23/h1-2,4-5,21-24,29H,3,6-18H2/t21-/m0/s1
InChIKeyIVZCRAFITVSBOW-NRFANRHFSA-N
XLogP2.31
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56876998
1,4-diazepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone;dihydrochloride
CID 154896845
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 70769541
cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
CID 131939794
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
CID 95463816
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 97151159

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 97138323) is [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1.
What is the InChIKey of [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is IVZCRAFITVSBOW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H37N3O2/c29-24-9-14-27(15-10-24)25(30)21-6-3-11-28(18-21)22-7-12-26(13-8-22)23-16-19-4-1-2-5-20(19)17-23/h1-2,4-5,21-24,29H,3,6-18H2/t21-/m0/s1.
What are the key properties of [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 411.59 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 97138323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).