1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone

C21H26N4O3 — CID 167705361

IUPAC1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(N)c(C(=O)N2CCC(Oc3ccc(N(C)C)cn3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-14(26)15-4-6-19(22)18(12-15)21(27)25-10-8-17(9-11-25)28-20-7-5-16(13-23-20)24(2)3/h4-7,12-13,17H,8-11,22H2,1-3H3
InChIKeyJOKJCRAEVFQNHP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone

1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 167705361) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
PubChem CID167705361
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(N)c(C(=O)N2CCC(Oc3ccc(N(C)C)cn3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-14(26)15-4-6-19(22)18(12-15)21(27)25-10-8-17(9-11-25)28-20-7-5-16(13-23-20)24(2)3/h4-7,12-13,17H,8-11,22H2,1-3H3
InChIKeyJOKJCRAEVFQNHP-UHFFFAOYSA-N
XLogP2.62
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
CID 167599810
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide
CID 167543187
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559348
6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 126830936
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167638035
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218408
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 126852304
(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone (CID 167705361) is 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(N)c(C(=O)N2CCC(Oc3ccc(N(C)C)cn3)CC2)c1.
What is the InChIKey of 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is JOKJCRAEVFQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(26)15-4-6-19(22)18(12-15)21(27)25-10-8-17(9-11-25)28-20-7-5-16(13-23-20)24(2)3/h4-7,12-13,17H,8-11,22H2,1-3H3.
What are the key properties of 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone?
1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 167705361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).