N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide

C26H34ClN3O2 — CID 143182239

IUPACN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31)
InChIKeyKRAFRFVAELAXHO-UHFFFAOYSA-N
MW456.03 g/mol
LogP5.91
Rot. Bonds5

About N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide

N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 143182239) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID143182239
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC NameN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31)
InChIKeyKRAFRFVAELAXHO-UHFFFAOYSA-N
XLogP5.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide (CID 143182239) is N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is KRAFRFVAELAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31).
What are the key properties of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 456.03 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 143182239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).