N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C29H33ClN2O2 — CID 22048834

IUPACN-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CC(Oc3cccc(Cl)c3)c3ccccc3)CC2)c1
InChIInChI=1S/C29H33ClN2O2/c1-21(2)29(33)31-26-12-6-10-24(18-26)22-14-16-32(17-15-22)20-28(23-8-4-3-5-9-23)34-27-13-7-11-25(30)19-27/h3-13,18-19,21-22,28H,14-17,20H2,1-2H3,(H,31,33)
InChIKeyPCRLWAOBJGRYND-UHFFFAOYSA-N
MW477.05 g/mol
LogP6.93
Rot. Bonds8

About N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22048834) has the molecular formula C29H33ClN2O2 and a molecular weight of 477.05 g/mol. Its IUPAC name is N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID22048834
Molecular FormulaC29H33ClN2O2
Molecular Weight477.05 g/mol
Exact Mass476.22
IUPAC NameN-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CC(Oc3cccc(Cl)c3)c3ccccc3)CC2)c1
InChIInChI=1S/C29H33ClN2O2/c1-21(2)29(33)31-26-12-6-10-24(18-26)22-14-16-32(17-15-22)20-28(23-8-4-3-5-9-23)34-27-13-7-11-25(30)19-27/h3-13,18-19,21-22,28H,14-17,20H2,1-2H3,(H,31,33)
InChIKeyPCRLWAOBJGRYND-UHFFFAOYSA-N
XLogP6.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
N-[3-[1-[3-(4-bromophenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049169
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[(3S)-3-[3,4-bis(iodomethyl)phenoxy]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89382966
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
N-[3-[1-[5-(4-bromophenoxy)-5-(4-chlorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048947
N-[3-[1-[3-(3-acetylphenoxy)-3-(4-methoxyphenyl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049339
N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
CID 142106880
N-[3-[1-[5-(3-acetylphenoxy)-5-(4-fluorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048891
N-[3-[1-[5-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049052
3,5-dichloro-N-[4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl]benzamide
CID 22048745

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22048834) is N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CC(Oc3cccc(Cl)c3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is PCRLWAOBJGRYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O2/c1-21(2)29(33)31-26-12-6-10-24(18-26)22-14-16-32(17-15-22)20-28(23-8-4-3-5-9-23)34-27-13-7-11-25(30)19-27/h3-13,18-19,21-22,28H,14-17,20H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 477.05 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22048834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).