N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide

C24H32N2O2 — CID 10199807

IUPACN-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H](C)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c1-3-24(28)26(22-14-8-5-9-15-22)19(2)21-13-10-16-25(17-21)18-23(27)20-11-6-4-7-12-20/h4-9,11-12,14-15,19,21,23,27H,3,10,13,16-18H2,1-2H3/t19-,21-,23-/m1/s1
InChIKeyMMMBSIUKYMYCKC-KJXAQDMKSA-N
MW380.53 g/mol
LogP4.26
Rot. Bonds7

About N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide

N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide (PubChem CID 10199807) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
PubChem CID10199807
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H](C)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C24H32N2O2/c1-3-24(28)26(22-14-8-5-9-15-22)19(2)21-13-10-16-25(17-21)18-23(27)20-11-6-4-7-12-20/h4-9,11-12,14-15,19,21,23,27H,3,10,13,16-18H2,1-2H3/t19-,21-,23-/m1/s1
InChIKeyMMMBSIUKYMYCKC-KJXAQDMKSA-N
XLogP4.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 2077827
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
[(3R)-3-[(R)-amino-(N-propanoylanilino)methyl]piperidin-1-yl] benzoate
CID 159212051
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
N-[(1R)-1-cyclopropylethyl]-2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 95333663
[1-phenyl-2-[3-[(N-propanoylanilino)methyl]piperidin-1-yl]ethyl] propanoate
CID 20598068
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide
CID 172755097
N-[(3R,4S)-1-[(2S)-2-hydroxy-2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
CID 100943642

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide?
The IUPAC name of N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide (CID 10199807) is N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide.
What is the SMILES notation for N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide?
The canonical SMILES for N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)[C@H](C)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1.
What is the InChIKey of N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide?
The InChIKey is MMMBSIUKYMYCKC-KJXAQDMKSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-24(28)26(22-14-8-5-9-15-22)19(2)21-13-10-16-25(17-21)18-23(27)20-11-6-4-7-12-20/h4-9,11-12,14-15,19,21,23,27H,3,10,13,16-18H2,1-2H3/t19-,21-,23-/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide?
N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide has a molecular weight of 380.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide is sourced from PubChem (CID 10199807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).