N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide

C20H23Cl2N3O2 — CID 13216276

IUPACN-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-11-17(23)16(22)10-18(19)24-20(26)14-5-7-25(8-6-14)12-13-3-2-4-15(21)9-13/h2-4,9-11,14H,5-8,12,23H2,1H3,(H,24,26)
InChIKeyOKFMHSRKLYWYSH-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.43
Rot. Bonds5

About N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide

N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 13216276) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID13216276
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-11-17(23)16(22)10-18(19)24-20(26)14-5-7-25(8-6-14)12-13-3-2-4-15(21)9-13/h2-4,9-11,14H,5-8,12,23H2,1H3,(H,24,26)
InChIKeyOKFMHSRKLYWYSH-UHFFFAOYSA-N
XLogP4.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
CID 13216250
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
ethyl 4-[[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 46774567
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45012095
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (CID 13216276) is N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is OKFMHSRKLYWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-27-19-11-17(23)16(22)10-18(19)24-20(26)14-5-7-25(8-6-14)12-13-3-2-4-15(21)9-13/h2-4,9-11,14H,5-8,12,23H2,1H3,(H,24,26).
What are the key properties of N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 408.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 13216276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).