(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide

C22H28N2O3 — CID 100841093

IUPAC(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H28N2O3/c1-17-8-5-6-12-21(17)27-16-20(25)15-24-13-7-9-18(14-24)22(26)23-19-10-3-2-4-11-19/h2-6,8,10-12,18,20,25H,7,9,13-16H2,1H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyMNTYCOKCZJJDNG-UYAOXDASSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds7

About (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 100841093) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
PubChem CID100841093
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H28N2O3/c1-17-8-5-6-12-21(17)27-16-20(25)15-24-13-7-9-18(14-24)22(26)23-19-10-3-2-4-11-19/h2-6,8,10-12,18,20,25H,7,9,13-16H2,1H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyMNTYCOKCZJJDNG-UYAOXDASSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
CID 146142495
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
ethyl (3R)-1-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]piperidine-3-carboxylate
CID 27331776
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 75521225
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide (CID 100841093) is (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide is Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is MNTYCOKCZJJDNG-UYAOXDASSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-8-5-6-12-21(17)27-16-20(25)15-24-13-7-9-18(14-24)22(26)23-19-10-3-2-4-11-19/h2-6,8,10-12,18,20,25H,7,9,13-16H2,1H3,(H,23,26)/t18-,20-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 100841093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).