N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

C15H19Cl2N3O2 — CID 119467092

IUPACN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNCC1CCCCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-5-4-10(7-13(12)17)15(22)19-9-14(21)20-6-2-1-3-11(20)8-18/h4-5,7,11H,1-3,6,8-9,18H2,(H,19,22)
InChIKeyXHXPLHYMYRQSDZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.06
Rot. Bonds4

About N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 119467092) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID119467092
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNCC1CCCCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-5-4-10(7-13(12)17)15(22)19-9-14(21)20-6-2-1-3-11(20)8-18/h4-5,7,11H,1-3,6,8-9,18H2,(H,19,22)
InChIKeyXHXPLHYMYRQSDZ-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 60544525
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-bromobenzamide
CID 119631869
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;hydrochloride
CID 119468471
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119468998
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (CID 119467092) is N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is NCC1CCCCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is XHXPLHYMYRQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-12-5-4-10(7-13(12)17)15(22)19-9-14(21)20-6-2-1-3-11(20)8-18/h4-5,7,11H,1-3,6,8-9,18H2,(H,19,22).
What are the key properties of N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 344.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 119467092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).