1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one

C21H33N3O2 — CID 45210294

IUPAC1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C21H33N3O2/c1-17-8-6-12-22-19(17)15-23(2)16-21(26)11-7-13-24(20(21)25)14-18-9-4-3-5-10-18/h6,8,12,18,26H,3-5,7,9-11,13-16H2,1-2H3
InChIKeyKUNPELAUNUFBLJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.76
Rot. Bonds6

About 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one

1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45210294) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one
PubChem CID45210294
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C21H33N3O2/c1-17-8-6-12-22-19(17)15-23(2)16-21(26)11-7-13-24(20(21)25)14-18-9-4-3-5-10-18/h6,8,12,18,26H,3-5,7,9-11,13-16H2,1-2H3
InChIKeyKUNPELAUNUFBLJ-UHFFFAOYSA-N
XLogP2.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one (CID 45210294) is 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one is Cc1cccnc1CN(C)CC1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is KUNPELAUNUFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-8-6-12-22-19(17)15-23(2)16-21(26)11-7-13-24(20(21)25)14-18-9-4-3-5-10-18/h6,8,12,18,26H,3-5,7,9-11,13-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one?
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45210294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).