N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C22H27ClN2O4 — CID 10159022

IUPACN-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O4/c1-16(26)24-21-4-2-3-5-22(21)28-15-18(27)14-25-12-10-20(11-13-25)29-19-8-6-17(23)7-9-19/h2-9,18,20,27H,10-15H2,1H3,(H,24,26)
InChIKeyIKKKQDKSODKSOV-UHFFFAOYSA-N
MW418.92 g/mol
LogP3.58
Rot. Bonds8

About N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 10159022) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID10159022
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O4/c1-16(26)24-21-4-2-3-5-22(21)28-15-18(27)14-25-12-10-20(11-13-25)29-19-8-6-17(23)7-9-19/h2-9,18,20,27H,10-15H2,1H3,(H,24,26)
InChIKeyIKKKQDKSODKSOV-UHFFFAOYSA-N
XLogP3.58
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanamide
CID 10183468
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 10161421
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide
CID 10205351
methyl (2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 86759800
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[2-[3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-hydroxypropoxy]phenyl]acetamide;hydrochloride
CID 174457672
2-[2-[(2R)-3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 154072204
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
N-[2-[2-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]hydrazinyl]-2-oxoethyl]benzamide
CID 174448780
(2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 86759799
1-[7-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
CID 10224508
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 10159022) is N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is IKKKQDKSODKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-16(26)24-21-4-2-3-5-22(21)28-15-18(27)14-25-12-10-20(11-13-25)29-19-8-6-17(23)7-9-19/h2-9,18,20,27H,10-15H2,1H3,(H,24,26).
What are the key properties of N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 418.92 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 10159022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).