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

C14H16Cl2N2O3 — CID 974066

IUPACN-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-5-12(11(16)8-10)21-9-13(19)17-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19,20)
InChIKeyTYLQQBXNPSESBK-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.09
Rot. Bonds3

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

N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide (PubChem CID 974066) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide
PubChem CID974066
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-5-12(11(16)8-10)21-9-13(19)17-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19,20)
InChIKeyTYLQQBXNPSESBK-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide (CID 974066) is N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide is O=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide?
The InChIKey is TYLQQBXNPSESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-4-5-12(11(16)8-10)21-9-13(19)17-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19,20).
What are the key properties of N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide?
N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)acetyl]piperidine-1-carboxamide is sourced from PubChem (CID 974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).