1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide

C17H25N3O2 — CID 119438060

IUPAC1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCCN(C(C)=O)C2)c1
InChIInChI=1S/C17H25N3O2/c1-3-18-11-14-6-4-8-16(10-14)19-17(22)15-7-5-9-20(12-15)13(2)21/h4,6,8,10,15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,22)
InChIKeyTXMOUYNRAPOOFN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds5

About 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide

1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide (PubChem CID 119438060) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
PubChem CID119438060
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCCN(C(C)=O)C2)c1
InChIInChI=1S/C17H25N3O2/c1-3-18-11-14-6-4-8-16(10-14)19-17(22)15-7-5-9-20(12-15)13(2)21/h4,6,8,10,15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,22)
InChIKeyTXMOUYNRAPOOFN-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
(3S)-3-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51956282

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide (CID 119438060) is 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide is CCNCc1cccc(NC(=O)C2CCCN(C(C)=O)C2)c1.
What is the InChIKey of 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is TXMOUYNRAPOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-11-14-6-4-8-16(10-14)19-17(22)15-7-5-9-20(12-15)13(2)21/h4,6,8,10,15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,22).
What are the key properties of 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide?
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119438060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).