N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide

C27H30N2O4 — CID 46054990

IUPACN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C27H30N2O4/c1-32-25-12-8-21(9-13-25)27(31)29(23-4-3-5-26(18-23)33-2)22-14-16-28(17-15-22)19-20-6-10-24(30)11-7-20/h3-13,18,22,30H,14-17,19H2,1-2H3
InChIKeyLMMHQZSBUZRCPW-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.72
Rot. Bonds7

About N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide

N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 46054990) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
PubChem CID46054990
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C27H30N2O4/c1-32-25-12-8-21(9-13-25)27(31)29(23-4-3-5-26(18-23)33-2)22-14-16-28(17-15-22)19-20-6-10-24(30)11-7-20/h3-13,18,22,30H,14-17,19H2,1-2H3
InChIKeyLMMHQZSBUZRCPW-UHFFFAOYSA-N
XLogP4.72
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
CID 42853384
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 46161815
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 42856599
3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 42858106

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide (CID 46054990) is N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide is COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is LMMHQZSBUZRCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-32-25-12-8-21(9-13-25)27(31)29(23-4-3-5-26(18-23)33-2)22-14-16-28(17-15-22)19-20-6-10-24(30)11-7-20/h3-13,18,22,30H,14-17,19H2,1-2H3.
What are the key properties of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide?
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46054990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).