N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

C25H25ClN2O3 — CID 55698903

IUPACN-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3/c26-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)27-25(30)28-16-14-19(15-17-28)24(29)18-8-2-1-3-9-18/h1-13,19,24,29H,14-17H2,(H,27,30)
InChIKeyONNSSORANWMMMM-UHFFFAOYSA-N
MW436.94 g/mol
LogP6.11
Rot. Bonds5

About N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 55698903) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
PubChem CID55698903
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3/c26-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)27-25(30)28-16-14-19(15-17-28)24(29)18-8-2-1-3-9-18/h1-13,19,24,29H,14-17H2,(H,27,30)
InChIKeyONNSSORANWMMMM-UHFFFAOYSA-N
XLogP6.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (CID 55698903) is N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ONNSSORANWMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)27-25(30)28-16-14-19(15-17-28)24(29)18-8-2-1-3-9-18/h1-13,19,24,29H,14-17H2,(H,27,30).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 55698903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).