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

C28H31ClN2O2 — CID 16756637

IUPACN-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1
InChIInChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-7-4-6-23(18-25)22-13-15-31(16-14-22)19-21-5-3-8-27(17-21)33-26-11-9-24(29)10-12-26/h3-12,17-18,20,22H,13-16,19H2,1-2H3,(H,30,32)
InChIKeyWBQHYELYVXDTRY-UHFFFAOYSA-N
MW463.02 g/mol
LogP7.11
Rot. Bonds7

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

N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 16756637) has the molecular formula C28H31ClN2O2 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID16756637
Molecular FormulaC28H31ClN2O2
Molecular Weight463.02 g/mol
Exact Mass462.21
IUPAC NameN-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1
InChIInChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-7-4-6-23(18-25)22-13-15-31(16-14-22)19-21-5-3-8-27(17-21)33-26-11-9-24(29)10-12-26/h3-12,17-18,20,22H,13-16,19H2,1-2H3,(H,30,32)
InChIKeyWBQHYELYVXDTRY-UHFFFAOYSA-N
XLogP7.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-(3-{1-[4-(3,4-difluorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 10183297
1-Piperazinecarboxamide, 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenyl-
CID 11704494
2-Methyl-N-{3-[1-(3-phenoxybenzyl)-4-piperidinyl]phenyl}propanamide
CID 16756521
2-Methyl-N-(3-{1-[3-(4-methylphenoxy)benzyl]-4-piperidinyl}phenyl)propanamide
CID 16756522
N-(3-{1-[3-(4-Tert-butylphenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756523
N-(3-{1-[3-(4-Methoxyphenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756524
2-methyl-N-[3-(1-{3-[3-(trifluoromethyl)phenoxy]benzyl}-4-piperidinyl)phenyl]-propanamide
CID 16756638
N-(3-{1-[3-(3,4-Dichlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756639
N-(3-{1-[3-(3,5-dichlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756640
2-Methyl-N-{3-[1-(4-phenoxybenzyl)-4-piperidinyl]phenyl}propanamide
CID 16756641
N-(3-{1-[4-(4-chlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756642
N-(3-{1-[4-(4-methoxyphenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756751

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 16756637) is N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1.
What is the InChIKey of N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is WBQHYELYVXDTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-7-4-6-23(18-25)22-13-15-31(16-14-22)19-21-5-3-8-27(17-21)33-26-11-9-24(29)10-12-26/h3-12,17-18,20,22H,13-16,19H2,1-2H3,(H,30,32).
What are the key properties of N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 463.02 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 16756637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).