N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide

C22H28N2O3 — CID 91635293

IUPACN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-17(25)24(19-7-5-4-6-8-19)20-11-13-23(14-12-20)16-18-9-10-21(26-2)15-22(18)27-3/h4-10,15,20H,11-14,16H2,1-3H3
InChIKeyNTNOBEUXNKRDFQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.72
Rot. Bonds6

About N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 91635293) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID91635293
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-17(25)24(19-7-5-4-6-8-19)20-11-13-23(14-12-20)16-18-9-10-21(26-2)15-22(18)27-3/h4-10,15,20H,11-14,16H2,1-3H3
InChIKeyNTNOBEUXNKRDFQ-UHFFFAOYSA-N
XLogP3.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42858221
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide (CID 91635293) is N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide is COc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is NTNOBEUXNKRDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(25)24(19-7-5-4-6-8-19)20-11-13-23(14-12-20)16-18-9-10-21(26-2)15-22(18)27-3/h4-10,15,20H,11-14,16H2,1-3H3.
What are the key properties of N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide?
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 91635293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).