2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide

C18H23N3O2 — CID 124679861

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C18H23N3O2/c1-20(18(23)13-21-8-4-6-16(22)12-21)11-14-9-15-5-2-3-7-17(15)19-10-14/h2-3,5,7,9-10,16,22H,4,6,8,11-13H2,1H3/t16-/m0/s1
InChIKeyLNEMMUINZOTCBM-INIZCTEOSA-N
MW313.40 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide

2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 124679861) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
PubChem CID124679861
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C18H23N3O2/c1-20(18(23)13-21-8-4-6-16(22)12-21)11-14-9-15-5-2-3-7-17(15)19-10-14/h2-3,5,7,9-10,16,22H,4,6,8,11-13H2,1H3/t16-/m0/s1
InChIKeyLNEMMUINZOTCBM-INIZCTEOSA-N
XLogP1.65
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide (CID 124679861) is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide is CN(Cc1cnc2ccccc2c1)C(=O)CN1CCC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is LNEMMUINZOTCBM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(18(23)13-21-8-4-6-16(22)12-21)11-14-9-15-5-2-3-7-17(15)19-10-14/h2-3,5,7,9-10,16,22H,4,6,8,11-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 124679861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).