(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide

C21H25ClN2O3 — CID 138996283

IUPAC(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H25ClN2O3/c22-17-6-8-19(9-7-17)27-15-14-24-12-10-18(11-13-24)23-21(26)20(25)16-4-2-1-3-5-16/h1-9,18,20,25H,10-15H2,(H,23,26)/t20-/m1/s1
InChIKeyXCDWNNFQPRSTJQ-HXUWFJFHSA-N
MW388.89 g/mol
LogP3.03
Rot. Bonds7

About (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 138996283) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.89 g/mol. Its IUPAC name is (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
PubChem CID138996283
Molecular FormulaC21H25ClN2O3
Molecular Weight388.89 g/mol
Exact Mass388.16
IUPAC Name(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H25ClN2O3/c22-17-6-8-19(9-7-17)27-15-14-24-12-10-18(11-13-24)23-21(26)20(25)16-4-2-1-3-5-16/h1-9,18,20,25H,10-15H2,(H,23,26)/t20-/m1/s1
InChIKeyXCDWNNFQPRSTJQ-HXUWFJFHSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.89
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
cis-(1S,2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345732
trans-(1S,2S)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345733
1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119891161
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide (CID 138996283) is (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is XCDWNNFQPRSTJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-17-6-8-19(9-7-17)27-15-14-24-12-10-18(11-13-24)23-21(26)20(25)16-4-2-1-3-5-16/h1-9,18,20,25H,10-15H2,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 388.89 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 138996283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).