1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H21Cl2N3O3 — CID 60547252

IUPAC1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-11-15(21)2-3-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27)
InChIKeyNICNJVGPFKPZFM-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 60547252) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID60547252
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-11-15(21)2-3-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27)
InChIKeyNICNJVGPFKPZFM-UHFFFAOYSA-N
XLogP3.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813073
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
1-[2-(2,5-dichlorophenoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99165656
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 55466170
2-(2,5-dichlorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119542676
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55672943
1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992545
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 60547252) is 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NICNJVGPFKPZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-13-4-7-23-18(10-13)24-20(27)14-5-8-25(9-6-14)19(26)12-28-17-11-15(21)2-3-16(17)22/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,23,24,27).
What are the key properties of 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60547252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).