N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide

C16H22ClN3O3 — CID 141051752

IUPACN-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2c(C(N)=O)ccc(Cl)c2O)CC1
InChIInChI=1S/C16H22ClN3O3/c1-9(2)20-7-5-10(6-8-20)16(23)19-13-11(15(18)22)3-4-12(17)14(13)21/h3-4,9-10,21H,5-8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyFZHIRFORACTZJJ-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.20
Rot. Bonds4

About N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 141051752) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID141051752
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2c(C(N)=O)ccc(Cl)c2O)CC1
InChIInChI=1S/C16H22ClN3O3/c1-9(2)20-7-5-10(6-8-20)16(23)19-13-11(15(18)22)3-4-12(17)14(13)21/h3-4,9-10,21H,5-8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyFZHIRFORACTZJJ-UHFFFAOYSA-N
XLogP2.20
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 141051752) is N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)Nc2c(C(N)=O)ccc(Cl)c2O)CC1.
What is the InChIKey of N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FZHIRFORACTZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-9(2)20-7-5-10(6-8-20)16(23)19-13-11(15(18)22)3-4-12(17)14(13)21/h3-4,9-10,21H,5-8H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 141051752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).