2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide

C31H40N2O2 — CID 22048876

IUPAC2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)CCOc1ccc(CN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccccc12
InChIInChI=1S/C31H40N2O2/c1-22(2)16-19-35-30-13-12-26(28-10-5-6-11-29(28)30)21-33-17-14-24(15-18-33)25-8-7-9-27(20-25)32-31(34)23(3)4/h5-13,20,22-24H,14-19,21H2,1-4H3,(H,32,34)
InChIKeyUQIQLYCOAJSWHD-UHFFFAOYSA-N
MW472.67 g/mol
LogP7.24
Rot. Bonds9

About 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 22048876) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide
PubChem CID22048876
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC Name2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)CCOc1ccc(CN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccccc12
InChIInChI=1S/C31H40N2O2/c1-22(2)16-19-35-30-13-12-26(28-10-5-6-11-29(28)30)21-33-17-14-24(15-18-33)25-8-7-9-27(20-25)32-31(34)23(3)4/h5-13,20,22-24H,14-19,21H2,1-4H3,(H,32,34)
InChIKeyUQIQLYCOAJSWHD-UHFFFAOYSA-N
XLogP7.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[3-(2-bromophenoxy)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049496
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-[[1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049142
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048772
2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
CID 22048594
N-[3-[1-[[1-[2-[fluoro-bis(phosphanyl)methyl]phenyl]indol-4-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 142203482
methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenylindole-6-carboxylate
CID 22048778
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide (CID 22048876) is 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide is CC(C)CCOc1ccc(CN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is UQIQLYCOAJSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2/c1-22(2)16-19-35-30-13-12-26(28-10-5-6-11-29(28)30)21-33-17-14-24(15-18-33)25-8-7-9-27(20-25)32-31(34)23(3)4/h5-13,20,22-24H,14-19,21H2,1-4H3,(H,32,34).
What are the key properties of 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 472.67 g/mol, XLogP of 7.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-[[4-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 22048876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).