(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide

C18H25FN2O2 — CID 164640315

IUPAC(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2ccccc2F)CC[C@]1(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-13-12-21(11-9-18(13,23)15-6-7-15)17(22)20-10-8-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m0/s1
InChIKeyQCHBBDLOXPHCNU-SCLBCKFNSA-N
MW320.41 g/mol
LogP2.56
Rot. Bonds4

About (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide

(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 164640315) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID164640315
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2ccccc2F)CC[C@]1(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-13-12-21(11-9-18(13,23)15-6-7-15)17(22)20-10-8-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m0/s1
InChIKeyQCHBBDLOXPHCNU-SCLBCKFNSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide (CID 164640315) is (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide is C[C@H]1CN(C(=O)NCCc2ccccc2F)CC[C@]1(O)C1CC1.
What is the InChIKey of (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is QCHBBDLOXPHCNU-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-12-21(11-9-18(13,23)15-6-7-15)17(22)20-10-8-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide?
(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164640315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).