[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone

C20H28N2O3 — CID 129487976

IUPAC[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone
SMILESO=C(c1cccc(N[C@H]2CCOC3(CCC3)C2)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C20H28N2O3/c23-18-6-2-10-22(14-18)19(24)15-4-1-5-16(12-15)21-17-7-11-25-20(13-17)8-3-9-20/h1,4-5,12,17-18,21,23H,2-3,6-11,13-14H2/t17-,18+/m0/s1
InChIKeyQOHBIIUACALZDW-ZWKOTPCHSA-N
MW344.46 g/mol
LogP2.80
Rot. Bonds3

About [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone

[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone (PubChem CID 129487976) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone
PubChem CID129487976
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone
SMILESO=C(c1cccc(N[C@H]2CCOC3(CCC3)C2)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C20H28N2O3/c23-18-6-2-10-22(14-18)19(24)15-4-1-5-16(12-15)21-17-7-11-25-20(13-17)8-3-9-20/h1,4-5,12,17-18,21,23H,2-3,6-11,13-14H2/t17-,18+/m0/s1
InChIKeyQOHBIIUACALZDW-ZWKOTPCHSA-N
XLogP2.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone with MolForge

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Related Compounds

N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
CID 86783784
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 99854647
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone?
The IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone (CID 129487976) is [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone?
The canonical SMILES for [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone is O=C(c1cccc(N[C@H]2CCOC3(CCC3)C2)c1)N1CCC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone?
The InChIKey is QOHBIIUACALZDW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18-6-2-10-22(14-18)19(24)15-4-1-5-16(12-15)21-17-7-11-25-20(13-17)8-3-9-20/h1,4-5,12,17-18,21,23H,2-3,6-11,13-14H2/t17-,18+/m0/s1.
What are the key properties of [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone?
[(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypiperidin-1-yl]-[3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]methanone is sourced from PubChem (CID 129487976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).