1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide

C16H21ClN2O3 — CID 754662

IUPAC1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-16(2,22-13-5-3-12(17)4-6-13)15(21)19-9-7-11(8-10-19)14(18)20/h3-6,11H,7-10H2,1-2H3,(H2,18,20)
InChIKeyJSVLPPSHLHBNON-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide (PubChem CID 754662) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
PubChem CID754662
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-16(2,22-13-5-3-12(17)4-6-13)15(21)19-9-7-11(8-10-19)14(18)20/h3-6,11H,7-10H2,1-2H3,(H2,18,20)
InChIKeyJSVLPPSHLHBNON-UHFFFAOYSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 167632774
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
2-(4-chlorophenoxy)-2-methyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178554
2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90639127
2-(4-chlorophenoxy)-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 2937910
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
CID 71785134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide (CID 754662) is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide?
The InChIKey is JSVLPPSHLHBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-16(2,22-13-5-3-12(17)4-6-13)15(21)19-9-7-11(8-10-19)14(18)20/h3-6,11H,7-10H2,1-2H3,(H2,18,20).
What are the key properties of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 754662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).