N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide

C17H25ClN2O3 — CID 110898038

IUPACN-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3/c1-13(21)19-16-3-2-8-20(9-16)10-17(22)12-23-11-14-4-6-15(18)7-5-14/h4-7,16-17,22H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyQKSGEAMRNBFZCV-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.82
Rot. Bonds7

About N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide

N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide (PubChem CID 110898038) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
PubChem CID110898038
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3/c1-13(21)19-16-3-2-8-20(9-16)10-17(22)12-23-11-14-4-6-15(18)7-5-14/h4-7,16-17,22H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyQKSGEAMRNBFZCV-UHFFFAOYSA-N
XLogP1.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227
N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
CID 94174599
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
CID 139013773

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide (CID 110898038) is N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The InChIKey is QKSGEAMRNBFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13(21)19-16-3-2-8-20(9-16)10-17(22)12-23-11-14-4-6-15(18)7-5-14/h4-7,16-17,22H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide has a molecular weight of 340.85 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110898038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).