3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide

C27H30N2O2 — CID 134802039

IUPAC3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3cccc(-c4cccc(C)c4)c3)CC2)c1
InChIInChI=1S/C27H30N2O2/c1-20-6-3-8-22(16-20)23-9-4-7-21(17-23)19-29-14-12-25(13-15-29)28-27(30)24-10-5-11-26(18-24)31-2/h3-11,16-18,25H,12-15,19H2,1-2H3,(H,28,30)
InChIKeyLSIVLJFJFNVVMM-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.07
Rot. Bonds6

About 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134802039) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134802039
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3cccc(-c4cccc(C)c4)c3)CC2)c1
InChIInChI=1S/C27H30N2O2/c1-20-6-3-8-22(16-20)23-9-4-7-21(17-23)19-29-14-12-25(13-15-29)28-27(30)24-10-5-11-26(18-24)31-2/h3-11,16-18,25H,12-15,19H2,1-2H3,(H,28,30)
InChIKeyLSIVLJFJFNVVMM-UHFFFAOYSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291
3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134802039) is 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(Cc3cccc(-c4cccc(C)c4)c3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is LSIVLJFJFNVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20-6-3-8-22(16-20)23-9-4-7-21(17-23)19-29-14-12-25(13-15-29)28-27(30)24-10-5-11-26(18-24)31-2/h3-11,16-18,25H,12-15,19H2,1-2H3,(H,28,30).
What are the key properties of 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134802039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).