N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide

C17H21N3O2 — CID 71978071

IUPACN-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C17H21N3O2/c1-12(22)18-15-6-4-8-20(10-15)17-14(11-21)9-13-5-2-3-7-16(13)19-17/h2-3,5,7,9,15,21H,4,6,8,10-11H2,1H3,(H,18,22)
InChIKeyNMUIEFJWBCLPFJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.83
Rot. Bonds3

About N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide

N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide (PubChem CID 71978071) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide
PubChem CID71978071
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C17H21N3O2/c1-12(22)18-15-6-4-8-20(10-15)17-14(11-21)9-13-5-2-3-7-16(13)19-17/h2-3,5,7,9,15,21H,4,6,8,10-11H2,1H3,(H,18,22)
InChIKeyNMUIEFJWBCLPFJ-UHFFFAOYSA-N
XLogP1.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide (CID 71978071) is N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc3ccccc3cc2CO)C1.
What is the InChIKey of N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide?
The InChIKey is NMUIEFJWBCLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(22)18-15-6-4-8-20(10-15)17-14(11-21)9-13-5-2-3-7-16(13)19-17/h2-3,5,7,9,15,21H,4,6,8,10-11H2,1H3,(H,18,22).
What are the key properties of N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide?
N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 71978071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).