4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

C18H29ClN4O2 — CID 119439439

IUPAC4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-4-19-13-15-7-5-6-8-16(15)20-17(23)14-9-11-22(12-10-14)18(24)21(2)3;/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,23);1H
InChIKeyAQXDWIYUAQRNNS-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.55
Rot. Bonds5

About 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119439439) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119439439
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-4-19-13-15-7-5-6-8-16(15)20-17(23)14-9-11-22(12-10-14)18(24)21(2)3;/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,23);1H
InChIKeyAQXDWIYUAQRNNS-UHFFFAOYSA-N
XLogP2.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119439924
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119439439) is 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is CCNCc1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl.
What is the InChIKey of 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is AQXDWIYUAQRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-4-19-13-15-7-5-6-8-16(15)20-17(23)14-9-11-22(12-10-14)18(24)21(2)3;/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,23);1H.
What are the key properties of 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119439439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).