N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

C21H23Cl2N3O3 — CID 60511834

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C21H23Cl2N3O3/c22-16-3-1-2-14(10-16)12-24-20(28)13-26-8-6-15(7-9-26)21(29)25-18-11-17(23)4-5-19(18)27/h1-5,10-11,15,27H,6-9,12-13H2,(H,24,28)(H,25,29)
InChIKeyNJGQBBRZZZXFFF-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.67
Rot. Bonds6

About N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 60511834) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID60511834
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C21H23Cl2N3O3/c22-16-3-1-2-14(10-16)12-24-20(28)13-26-8-6-15(7-9-26)21(29)25-18-11-17(23)4-5-19(18)27/h1-5,10-11,15,27H,6-9,12-13H2,(H,24,28)(H,25,29)
InChIKeyNJGQBBRZZZXFFF-UHFFFAOYSA-N
XLogP3.67
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-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

N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide
CID 111113313
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 47056452
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 112841790
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-(5-chloro-2-hydroxyphenyl)-1-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 60512001

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 60511834) is N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is NJGQBBRZZZXFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c22-16-3-1-2-14(10-16)12-24-20(28)13-26-8-6-15(7-9-26)21(29)25-18-11-17(23)4-5-19(18)27/h1-5,10-11,15,27H,6-9,12-13H2,(H,24,28)(H,25,29).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 436.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 60511834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).