N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide

C32H38ClN3O2 — CID 11526626

IUPACN-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37)
InChIKeyVACZJUIZGZSWET-UHFFFAOYSA-N
MW532.13 g/mol
LogP6.27
Rot. Bonds8

About N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide

N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide (PubChem CID 11526626) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide
PubChem CID11526626
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC NameN-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37)
InChIKeyVACZJUIZGZSWET-UHFFFAOYSA-N
XLogP6.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide (CID 11526626) is N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide is CCN1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1.
What is the InChIKey of N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is VACZJUIZGZSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37).
What are the key properties of N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide?
N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 532.13 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 11526626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).