N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide

C14H18ClN3O3 — CID 134047749

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H18ClN3O3/c15-9-1-2-12(19)11(7-9)14(21)17-10-3-5-18(6-4-10)8-13(16)20/h1-2,7,10,19H,3-6,8H2,(H2,16,20)(H,17,21)
InChIKeyLVMREKNECJULIV-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.73
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide (PubChem CID 134047749) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
PubChem CID134047749
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H18ClN3O3/c15-9-1-2-12(19)11(7-9)14(21)17-10-3-5-18(6-4-10)8-13(16)20/h1-2,7,10,19H,3-6,8H2,(H2,16,20)(H,17,21)
InChIKeyLVMREKNECJULIV-UHFFFAOYSA-N
XLogP0.73
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
CID 115298747
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
CID 115696810
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide (CID 134047749) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide is NC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide?
The InChIKey is LVMREKNECJULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-9-1-2-12(19)11(7-9)14(21)17-10-3-5-18(6-4-10)8-13(16)20/h1-2,7,10,19H,3-6,8H2,(H2,16,20)(H,17,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide has a molecular weight of 311.77 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 134047749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).