[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone

C18H28N2O3 — CID 111777991

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
SMILESCC(C)OCCNc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-10-8-19-17-7-3-6-16(11-17)18(22)20-9-4-5-15(12-20)13-21/h3,6-7,11,14-15,19,21H,4-5,8-10,12-13H2,1-2H3
InChIKeyQUHWXXJYDDPFFR-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.37
Rot. Bonds7

About [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone (PubChem CID 111777991) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
PubChem CID111777991
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
SMILESCC(C)OCCNc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C18H28N2O3/c1-14(2)23-10-8-19-17-7-3-6-16(11-17)18(22)20-9-4-5-15(12-20)13-21/h3,6-7,11,14-15,19,21H,4-5,8-10,12-13H2,1-2H3
InChIKeyQUHWXXJYDDPFFR-UHFFFAOYSA-N
XLogP2.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide
CID 126800020
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542
N-[3-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97260286
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone (CID 111777991) is [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone is CC(C)OCCNc1cccc(C(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone?
The InChIKey is QUHWXXJYDDPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)23-10-8-19-17-7-3-6-16(11-17)18(22)20-9-4-5-15(12-20)13-21/h3,6-7,11,14-15,19,21H,4-5,8-10,12-13H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone has a molecular weight of 320.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone is sourced from PubChem (CID 111777991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).