N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide

C23H28Cl2N2O3 — CID 153436133

IUPACN-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC(Oc1ccc(Cl)cc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-17(28)26-23(30-22-9-5-20(25)6-10-22)18-11-14-27(15-12-18)13-2-16-29-21-7-3-19(24)4-8-21/h3-10,18,23H,2,11-16H2,1H3,(H,26,28)
InChIKeyLWCJUXZDRVARDS-UHFFFAOYSA-N
MW451.39 g/mol
LogP5.02
Rot. Bonds9

About N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide

N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide (PubChem CID 153436133) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide
PubChem CID153436133
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC NameN-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC(Oc1ccc(Cl)cc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-17(28)26-23(30-22-9-5-20(25)6-10-22)18-11-14-27(15-12-18)13-2-16-29-21-7-3-19(24)4-8-21/h3-10,18,23H,2,11-16H2,1H3,(H,26,28)
InChIKeyLWCJUXZDRVARDS-UHFFFAOYSA-N
XLogP5.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
tert-butyl 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]acetate
CID 158514756
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide (CID 153436133) is N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide is CC(=O)NC(Oc1ccc(Cl)cc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is LWCJUXZDRVARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-17(28)26-23(30-22-9-5-20(25)6-10-22)18-11-14-27(15-12-18)13-2-16-29-21-7-3-19(24)4-8-21/h3-10,18,23H,2,11-16H2,1H3,(H,26,28).
What are the key properties of N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide?
N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 451.39 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 153436133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).