(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide

C20H30FN3O2 — CID 124691177

IUPAC(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@]1(C)CCCCN1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C20H30FN3O2/c1-14(23-19(26)20(2)9-3-4-10-22-20)17-13-15(21)5-6-18(17)24-11-7-16(25)8-12-24/h5-6,13-14,16,22,25H,3-4,7-12H2,1-2H3,(H,23,26)/t14-,20+/m1/s1
InChIKeyQAJSNQHOTRPRPW-VLIAUNLRSA-N
MW363.48 g/mol
LogP2.50
Rot. Bonds4

About (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide

(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide (PubChem CID 124691177) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide
PubChem CID124691177
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@]1(C)CCCCN1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C20H30FN3O2/c1-14(23-19(26)20(2)9-3-4-10-22-20)17-13-15(21)5-6-18(17)24-11-7-16(25)8-12-24/h5-6,13-14,16,22,25H,3-4,7-12H2,1-2H3,(H,23,26)/t14-,20+/m1/s1
InChIKeyQAJSNQHOTRPRPW-VLIAUNLRSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide (CID 124691177) is (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide is C[C@@H](NC(=O)[C@]1(C)CCCCN1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is QAJSNQHOTRPRPW-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-14(23-19(26)20(2)9-3-4-10-22-20)17-13-15(21)5-6-18(17)24-11-7-16(25)8-12-24/h5-6,13-14,16,22,25H,3-4,7-12H2,1-2H3,(H,23,26)/t14-,20+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide?
(2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 124691177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).