N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide

C20H18ClN3O2 — CID 153485736

IUPACN-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
SMILES[C-]#[N+]c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c1-22-18-6-2-4-14(12-18)20(26)24-11-3-5-15(13-24)19(25)23-17-9-7-16(21)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,(H,23,25)
InChIKeyGKYHRUGQDNFADJ-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.38
Rot. Bonds3

About N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide

N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide (PubChem CID 153485736) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
PubChem CID153485736
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
SMILES[C-]#[N+]c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c1-22-18-6-2-4-14(12-18)20(26)24-11-3-5-15(13-24)19(25)23-17-9-7-16(21)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,(H,23,25)
InChIKeyGKYHRUGQDNFADJ-UHFFFAOYSA-N
XLogP4.38
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide (CID 153485736) is N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide is [C-]#[N+]c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide?
The InChIKey is GKYHRUGQDNFADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-22-18-6-2-4-14(12-18)20(26)24-11-3-5-15(13-24)19(25)23-17-9-7-16(21)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 153485736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).