4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide

C20H23Cl2N3O — CID 23587403

IUPAC4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESNCc1cccc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c21-18-5-4-15(11-19(18)22)13-24-20(26)25-8-6-16(7-9-25)17-3-1-2-14(10-17)12-23/h1-5,10-11,16H,6-9,12-13,23H2,(H,24,26)
InChIKeyHGFIVOPGFMYGGK-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.54
Rot. Bonds4

About 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide

4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 23587403) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID23587403
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
SMILESNCc1cccc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c21-18-5-4-15(11-19(18)22)13-24-20(26)25-8-6-16(7-9-25)17-3-1-2-14(10-17)12-23/h1-5,10-11,16H,6-9,12-13,23H2,(H,24,26)
InChIKeyHGFIVOPGFMYGGK-UHFFFAOYSA-N
XLogP4.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 69028590
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 171356356
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-[(6-chloro-2-pyridinyl)oxy]ethanone
CID 87666295
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[2-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-oxoethyl]phenyl]boronic acid
CID 67115113
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide (CID 23587403) is 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide is NCc1cccc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HGFIVOPGFMYGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c21-18-5-4-15(11-19(18)22)13-24-20(26)25-8-6-16(7-9-25)17-3-1-2-14(10-17)12-23/h1-5,10-11,16H,6-9,12-13,23H2,(H,24,26).
What are the key properties of 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide?
4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 23587403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).