1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide

C15H22ClN3O — CID 81148490

IUPAC1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
SMILESCCNCc1ccc(N2CCCCC2C(N)=O)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-13(12(16)9-11)19-8-4-3-5-14(19)15(17)20/h6-7,9,14,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyYWLNHRUUAAGQKN-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide

1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide (PubChem CID 81148490) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
PubChem CID81148490
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
SMILESCCNCc1ccc(N2CCCCC2C(N)=O)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-13(12(16)9-11)19-8-4-3-5-14(19)15(17)20/h6-7,9,14,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyYWLNHRUUAAGQKN-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
N-[[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 81149874
N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81148572
1-(4-carbamothioyl-2-chlorophenyl)piperidine-2-carboxamide
CID 55180077
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
3-[1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 81148737
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
CID 63061257
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
N-[[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chlorophenyl]methyl]ethanamine
CID 81145900
1-[2-chloro-4-(hydroxymethyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 81151277

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide (CID 81148490) is 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide is CCNCc1ccc(N2CCCCC2C(N)=O)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is YWLNHRUUAAGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-13(12(16)9-11)19-8-4-3-5-14(19)15(17)20/h6-7,9,14,18H,2-5,8,10H2,1H3,(H2,17,20).
What are the key properties of 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 81148490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).