1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride

C22H31Cl2N3O — CID 119438547

IUPAC1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-2-23-15-19-10-6-12-21(14-19)24-22(26)20-11-7-13-25(17-20)16-18-8-4-3-5-9-18;;/h3-6,8-10,12,14,20,23H,2,7,11,13,15-17H2,1H3,(H,24,26);2*1H
InChIKeyQCQKFKHCWWUZKK-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.49
Rot. Bonds7

About 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride

1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119438547) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119438547
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-2-23-15-19-10-6-12-21(14-19)24-22(26)20-11-7-13-25(17-20)16-18-8-4-3-5-9-18;;/h3-6,8-10,12,14,20,23H,2,7,11,13,15-17H2,1H3,(H,24,26);2*1H
InChIKeyQCQKFKHCWWUZKK-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride (CID 119438547) is 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride is CCNCc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is QCQKFKHCWWUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-2-23-15-19-10-6-12-21(14-19)24-22(26)20-11-7-13-25(17-20)16-18-8-4-3-5-9-18;;/h3-6,8-10,12,14,20,23H,2,7,11,13,15-17H2,1H3,(H,24,26);2*1H.
What are the key properties of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119438547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).