2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C18H27N3O3 — CID 54828810

IUPAC2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOCCCNCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-12-6-9-19-14-17(22)20-16-8-5-7-15(13-16)18(23)21-10-3-2-4-11-21/h5,7-8,13,19H,2-4,6,9-12,14H2,1H3,(H,20,22)
InChIKeyIYSFXAILIXLZCW-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds8

About 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54828810) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54828810
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOCCCNCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-24-12-6-9-19-14-17(22)20-16-8-5-7-15(13-16)18(23)21-10-3-2-4-11-21/h5,7-8,13,19H,2-4,6,9-12,14H2,1H3,(H,20,22)
InChIKeyIYSFXAILIXLZCW-UHFFFAOYSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
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

N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
CID 54829165
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843162
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54828810) is 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is COCCCNCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is IYSFXAILIXLZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-12-6-9-19-14-17(22)20-16-8-5-7-15(13-16)18(23)21-10-3-2-4-11-21/h5,7-8,13,19H,2-4,6,9-12,14H2,1H3,(H,20,22).
What are the key properties of 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54828810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).