N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide

C23H30N2O4 — CID 46055000

IUPACN-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-17(26)25(19-8-6-5-7-9-19)20-12-14-24(15-13-20)16-18-10-11-21(27-2)23(29-4)22(18)28-3/h5-11,20H,12-16H2,1-4H3
InChIKeyPTYWPGXJIHFHMW-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.73
Rot. Bonds7

About N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide

N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 46055000) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID46055000
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-17(26)25(19-8-6-5-7-9-19)20-12-14-24(15-13-20)16-18-10-11-21(27-2)23(29-4)22(18)28-3/h5-11,20H,12-16H2,1-4H3
InChIKeyPTYWPGXJIHFHMW-UHFFFAOYSA-N
XLogP3.73
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42858221
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 45355062

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide (CID 46055000) is N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide is COc1ccc(CN2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1OC.
What is the InChIKey of N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is PTYWPGXJIHFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(26)25(19-8-6-5-7-9-19)20-12-14-24(15-13-20)16-18-10-11-21(27-2)23(29-4)22(18)28-3/h5-11,20H,12-16H2,1-4H3.
What are the key properties of N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide?
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46055000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).