(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone

C20H24N2O3 — CID 71978123

IUPAC(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCCOc2ccccc2)c1)N1CCCC(O)C1
InChIInChI=1S/C20H24N2O3/c23-18-8-5-12-22(15-18)20(24)16-6-4-7-17(14-16)21-11-13-25-19-9-2-1-3-10-19/h1-4,6-7,9-10,14,18,21,23H,5,8,11-13,15H2
InChIKeyKMCPTOAVOGWYMB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds6

About (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone (PubChem CID 71978123) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
PubChem CID71978123
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCCOc2ccccc2)c1)N1CCCC(O)C1
InChIInChI=1S/C20H24N2O3/c23-18-8-5-12-22(15-18)20(24)16-6-4-7-17(14-16)21-11-13-25-19-9-2-1-3-10-19/h1-4,6-7,9-10,14,18,21,23H,5,8,11-13,15H2
InChIKeyKMCPTOAVOGWYMB-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
CID 86783784
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
CID 52513679
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
CID 111777991
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone (CID 71978123) is (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone is O=C(c1cccc(NCCOc2ccccc2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone?
The InChIKey is KMCPTOAVOGWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18-8-5-12-22(15-18)20(24)16-6-4-7-17(14-16)21-11-13-25-19-9-2-1-3-10-19/h1-4,6-7,9-10,14,18,21,23H,5,8,11-13,15H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone has a molecular weight of 340.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone is sourced from PubChem (CID 71978123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).