N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide

C25H33N3O2 — CID 53277962

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-27-17-13-24(14-18-27)30-23-11-9-22(10-12-23)26-25(29)21-7-5-20(6-8-21)19-28-15-3-2-4-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29)
InChIKeyMEIFBNWDJAGNNE-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.40
Rot. Bonds6

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 53277962) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID53277962
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-27-17-13-24(14-18-27)30-23-11-9-22(10-12-23)26-25(29)21-7-5-20(6-8-21)19-28-15-3-2-4-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29)
InChIKeyMEIFBNWDJAGNNE-UHFFFAOYSA-N
XLogP4.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 53278475
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
1-[(4-methylphenyl)methyl]-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]triazole-4-carboxamide
CID 122220147
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide (CID 53277962) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide is CN1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is MEIFBNWDJAGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-27-17-13-24(14-18-27)30-23-11-9-22(10-12-23)26-25(29)21-7-5-20(6-8-21)19-28-15-3-2-4-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 53277962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).