(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one

C19H30N2O3 — CID 95212679

IUPAC(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccoc1
InChIInChI=1S/C19H30N2O3/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h8,12,14,16,20,23H,1-7,9-11,13,15H2/t19-/m0/s1
InChIKeyQJZQQQLMBWNFEM-IBGZPJMESA-N
MW334.46 g/mol
LogP2.69
Rot. Bonds7

About (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one

(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one (PubChem CID 95212679) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
PubChem CID95212679
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccoc1
InChIInChI=1S/C19H30N2O3/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h8,12,14,16,20,23H,1-7,9-11,13,15H2/t19-/m0/s1
InChIKeyQJZQQQLMBWNFEM-IBGZPJMESA-N
XLogP2.69
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one (CID 95212679) is (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one is O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccoc1.
What is the InChIKey of (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is QJZQQQLMBWNFEM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O3/c22-18-19(23,15-20-13-17-8-12-24-14-17)9-4-10-21(18)11-7-16-5-2-1-3-6-16/h8,12,14,16,20,23H,1-7,9-11,13,15H2/t19-/m0/s1.
What are the key properties of (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one?
(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 95212679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).