N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide

C21H26N2O3 — CID 140659220

IUPACN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
SMILESO=C(N[C@@H](CO)[C@@H](O)c1ccccc1)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O3/c24-14-19(20(25)16-9-5-2-6-10-16)23-21(26)18-13-17(11-12-22-18)15-7-3-1-4-8-15/h1-10,17-20,22,24-25H,11-14H2,(H,23,26)/t17?,18?,19-,20-/m0/s1
InChIKeyXAEYQKUYASOJLC-GUMHCPJTSA-N
MW354.45 g/mol
LogP1.73
Rot. Bonds6

About N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide (PubChem CID 140659220) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
PubChem CID140659220
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
SMILESO=C(N[C@@H](CO)[C@@H](O)c1ccccc1)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O3/c24-14-19(20(25)16-9-5-2-6-10-16)23-21(26)18-13-17(11-12-22-18)15-7-3-1-4-8-15/h1-10,17-20,22,24-25H,11-14H2,(H,23,26)/t17?,18?,19-,20-/m0/s1
InChIKeyXAEYQKUYASOJLC-GUMHCPJTSA-N
XLogP1.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide (CID 140659220) is N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide is O=C(N[C@@H](CO)[C@@H](O)c1ccccc1)C1CC(c2ccccc2)CCN1.
What is the InChIKey of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide?
The InChIKey is XAEYQKUYASOJLC-GUMHCPJTSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-14-19(20(25)16-9-5-2-6-10-16)23-21(26)18-13-17(11-12-22-18)15-7-3-1-4-8-15/h1-10,17-20,22,24-25H,11-14H2,(H,23,26)/t17?,18?,19-,20-/m0/s1.
What are the key properties of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide?
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 140659220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).