(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one

C17H30N2O2 — CID 25305646

IUPAC(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
SMILESC=C(C)CNC[C@@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-14(2)11-18-13-17(21)9-6-10-19(16(17)20)12-15-7-4-3-5-8-15/h15,18,21H,1,3-13H2,2H3/t17-/m0/s1
InChIKeyXOLLRBMFCOFHCF-KRWDZBQOSA-N
MW294.44 g/mol
LogP2.09
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one

(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one (PubChem CID 25305646) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
PubChem CID25305646
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
SMILESC=C(C)CNC[C@@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-14(2)11-18-13-17(21)9-6-10-19(16(17)20)12-15-7-4-3-5-8-15/h15,18,21H,1,3-13H2,2H3/t17-/m0/s1
InChIKeyXOLLRBMFCOFHCF-KRWDZBQOSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one (CID 25305646) is (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one is C=C(C)CNC[C@@]1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one?
The InChIKey is XOLLRBMFCOFHCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)11-18-13-17(21)9-6-10-19(16(17)20)12-15-7-4-3-5-8-15/h15,18,21H,1,3-13H2,2H3/t17-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one?
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one is sourced from PubChem (CID 25305646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).