N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide

C15H20ClN3O2 — CID 43700629

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-9-11-2-1-3-12(8-11)15(21)18-13-4-6-19(7-5-13)10-14(17)20/h1-3,8,13H,4-7,9-10H2,(H2,17,20)(H,18,21)
InChIKeyKLIQNTYJJLKMBE-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.10
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide (PubChem CID 43700629) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
PubChem CID43700629
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-9-11-2-1-3-12(8-11)15(21)18-13-4-6-19(7-5-13)10-14(17)20/h1-3,8,13H,4-7,9-10H2,(H2,17,20)(H,18,21)
InChIKeyKLIQNTYJJLKMBE-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide (CID 43700629) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide is NC(=O)CN1CCC(NC(=O)c2cccc(CCl)c2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide?
The InChIKey is KLIQNTYJJLKMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-9-11-2-1-3-12(8-11)15(21)18-13-4-6-19(7-5-13)10-14(17)20/h1-3,8,13H,4-7,9-10H2,(H2,17,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide has a molecular weight of 309.80 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide is sourced from PubChem (CID 43700629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).