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

C14H17Cl2N3O2 — CID 119373866

IUPACN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-9(7-12(11)16)14(21)18-8-13(20)19-5-3-10(17)4-6-19/h1-2,7,10H,3-6,8,17H2,(H,18,21)
InChIKeyCKYBWAZFOLCHPB-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.67
Rot. Bonds3

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

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 119373866) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID119373866
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-9(7-12(11)16)14(21)18-8-13(20)19-5-3-10(17)4-6-19/h1-2,7,10H,3-6,8,17H2,(H,18,21)
InChIKeyCKYBWAZFOLCHPB-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764910
3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 78803732
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 119467092

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide (CID 119373866) is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide is NC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is CKYBWAZFOLCHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-2-1-9(7-12(11)16)14(21)18-8-13(20)19-5-3-10(17)4-6-19/h1-2,7,10H,3-6,8,17H2,(H,18,21).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 330.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 119373866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).