4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide

C25H34N2O2 — CID 100716391

IUPAC4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)22-14-23(19(4)13-24(22)29-5)25(28)26-15-20-8-10-21(11-9-20)27-12-6-7-18(3)16-27/h8-11,13-14,17-18H,6-7,12,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyWZHZPTBVHNSROJ-GOSISDBHSA-N
MW394.56 g/mol
LogP5.29
Rot. Bonds6

About 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide (PubChem CID 100716391) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
PubChem CID100716391
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C
InChIInChI=1S/C25H34N2O2/c1-17(2)22-14-23(19(4)13-24(22)29-5)25(28)26-15-20-8-10-21(11-9-20)27-12-6-7-18(3)16-27/h8-11,13-14,17-18H,6-7,12,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1
InChIKeyWZHZPTBVHNSROJ-GOSISDBHSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
CID 132673669
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
methyl 4-methyl-3-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methylcarbamothioylamino]benzoate
CID 100724003
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715760
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 98241753
3-(4-methoxy-3-methylphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125054267
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 99933479
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide (CID 100716391) is 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide?
The InChIKey is WZHZPTBVHNSROJ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-17(2)22-14-23(19(4)13-24(22)29-5)25(28)26-15-20-8-10-21(11-9-20)27-12-6-7-18(3)16-27/h8-11,13-14,17-18H,6-7,12,15-16H2,1-5H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide has a molecular weight of 394.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 100716391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).