N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C30H31Cl2N3O — CID 22048772

IUPACN-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4Cl)c4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C30H31Cl2N3O/c1-20(2)30(36)33-25-7-5-6-22(16-25)21-12-14-34(15-13-21)18-23-19-35(28-9-4-3-8-27(28)32)29-17-24(31)10-11-26(23)29/h3-11,16-17,19-21H,12-15,18H2,1-2H3,(H,33,36)
InChIKeyYWXUZKXJXOHNDZ-UHFFFAOYSA-N
MW520.50 g/mol
LogP7.91
Rot. Bonds6

About N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22048772) has the molecular formula C30H31Cl2N3O and a molecular weight of 520.50 g/mol. Its IUPAC name is N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID22048772
Molecular FormulaC30H31Cl2N3O
Molecular Weight520.50 g/mol
Exact Mass519.18
IUPAC NameN-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4Cl)c4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C30H31Cl2N3O/c1-20(2)30(36)33-25-7-5-6-22(16-25)21-12-14-34(15-13-21)18-23-19-35(28-9-4-3-8-27(28)32)29-17-24(31)10-11-26(23)29/h3-11,16-17,19-21H,12-15,18H2,1-2H3,(H,33,36)
InChIKeyYWXUZKXJXOHNDZ-UHFFFAOYSA-N
XLogP7.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[[1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049142
methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenylindole-6-carboxylate
CID 22048778
N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
CID 22049113
N-[3-[1-[[1-[2-[fluoro-bis(phosphanyl)methyl]phenyl]indol-4-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 142203482
2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
CID 22048594
N-[3-[1-[[6-chloro-1-[(3Z,5Z)-3,4-dichlorohepta-1,3,5-trien-2-yl]indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 142203571
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-[[6-chloro-1-(2-methoxyphenyl)indol-2-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 91463640
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048834
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide
CID 22048876

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22048772) is N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4Cl)c4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is YWXUZKXJXOHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N3O/c1-20(2)30(36)33-25-7-5-6-22(16-25)21-12-14-34(15-13-21)18-23-19-35(28-9-4-3-8-27(28)32)29-17-24(31)10-11-26(23)29/h3-11,16-17,19-21H,12-15,18H2,1-2H3,(H,33,36).
What are the key properties of N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 520.50 g/mol, XLogP of 7.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22048772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).