N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

C25H33ClN2O3 — CID 25301617

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H33ClN2O3/c1-27(25(29)17-21-16-23(30-2)8-9-24(21)31-3)18-20-11-14-28(15-12-20)13-10-19-4-6-22(26)7-5-19/h4-9,16,20H,10-15,17-18H2,1-3H3
InChIKeyKVJBNLRYCXPLKF-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.31
Rot. Bonds9

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (PubChem CID 25301617) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
PubChem CID25301617
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H33ClN2O3/c1-27(25(29)17-21-16-23(30-2)8-9-24(21)31-3)18-20-11-14-28(15-12-20)13-10-19-4-6-22(26)7-5-19/h4-9,16,20H,10-15,17-18H2,1-3H3
InChIKeyKVJBNLRYCXPLKF-UHFFFAOYSA-N
XLogP4.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 25384161
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 72869126
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 25454045
2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 97268630
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-cyano-N-methylbenzamide
CID 72924461
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 42557349

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (CID 25301617) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is COc1ccc(OC)c(CC(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is KVJBNLRYCXPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3/c1-27(25(29)17-21-16-23(30-2)8-9-24(21)31-3)18-20-11-14-28(15-12-20)13-10-19-4-6-22(26)7-5-19/h4-9,16,20H,10-15,17-18H2,1-3H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 445.00 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 25301617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).