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

C18H23N3O2 — CID 91794996

IUPAC2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CN1CCCC(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
InChIKeyLNEMMUINZOTCBM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.65
Rot. Bonds4

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

2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 91794996) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
PubChem CID91794996
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CN1CCCC(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
InChIKeyLNEMMUINZOTCBM-UHFFFAOYSA-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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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 124679861
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 78787306
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 8652541
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
CID 95209407
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide (CID 91794996) is 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide is CN(Cc1cnc2ccccc2c1)C(=O)CN1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is LNEMMUINZOTCBM-UHFFFAOYSA-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.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
2-(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-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 91794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).