1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C20H21ClN4O4 — CID 55923899

IUPAC1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C20H21ClN4O4/c21-15-4-5-17(23-11-15)24-20(28)13-6-8-25(9-7-13)18(26)12-29-16-3-1-2-14(10-16)19(22)27/h1-5,10-11,13H,6-9,12H2,(H2,22,27)(H,23,24,28)
InChIKeyCOSLLFVFUWUKQB-UHFFFAOYSA-N
MW416.87 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55923899) has the molecular formula C20H21ClN4O4 and a molecular weight of 416.87 g/mol. Its IUPAC name is 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55923899
Molecular FormulaC20H21ClN4O4
Molecular Weight416.87 g/mol
Exact Mass416.13
IUPAC Name1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C20H21ClN4O4/c21-15-4-5-17(23-11-15)24-20(28)13-6-8-25(9-7-13)18(26)12-29-16-3-1-2-14(10-16)19(22)27/h1-5,10-11,13H,6-9,12H2,(H2,22,27)(H,23,24,28)
InChIKeyCOSLLFVFUWUKQB-UHFFFAOYSA-N
XLogP2.09
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)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

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55815420
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
3-[[6-[[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]amino]-3-pyridinyl]oxy]benzamide
CID 166431175
ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
CID 51088119
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
CID 55931139
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55923899) is 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is NC(=O)c1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1.
What is the InChIKey of 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is COSLLFVFUWUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4/c21-15-4-5-17(23-11-15)24-20(28)13-6-8-25(9-7-13)18(26)12-29-16-3-1-2-14(10-16)19(22)27/h1-5,10-11,13H,6-9,12H2,(H2,22,27)(H,23,24,28).
What are the key properties of 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55923899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).