N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

C22H27FN2O2 — CID 164642522

IUPACN-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC([C@@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O2/c23-20-8-4-7-18(15-20)16-24-22(27)25-13-11-19(12-14-25)21(26)10-9-17-5-2-1-3-6-17/h1-8,15,19,21,26H,9-14,16H2,(H,24,27)/t21-/m0/s1
InChIKeyCXSUUQGLCOZJGU-NRFANRHFSA-N
MW370.47 g/mol
LogP3.74
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (PubChem CID 164642522) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
PubChem CID164642522
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC([C@@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O2/c23-20-8-4-7-18(15-20)16-24-22(27)25-13-11-19(12-14-25)21(26)10-9-17-5-2-1-3-6-17/h1-8,15,19,21,26H,9-14,16H2,(H,24,27)/t21-/m0/s1
InChIKeyCXSUUQGLCOZJGU-NRFANRHFSA-N
XLogP3.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (CID 164642522) is N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is O=C(NCc1cccc(F)c1)N1CCC([C@@H](O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The InChIKey is CXSUUQGLCOZJGU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-20-8-4-7-18(15-20)16-24-22(27)25-13-11-19(12-14-25)21(26)10-9-17-5-2-1-3-6-17/h1-8,15,19,21,26H,9-14,16H2,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 164642522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).