3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide

C22H28N2O2 — CID 7491837

IUPAC3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-17(2)16-26-21-8-6-7-18(15-21)22(25)23-19-9-11-20(12-10-19)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyNNOUIRAABNGWDF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.96
Rot. Bonds6

About 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide

3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 7491837) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID7491837
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-17(2)16-26-21-8-6-7-18(15-21)22(25)23-19-9-11-20(12-10-19)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyNNOUIRAABNGWDF-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17128061
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide (CID 7491837) is 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is NNOUIRAABNGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)16-26-21-8-6-7-18(15-21)22(25)23-19-9-11-20(12-10-19)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 7491837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).