N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide

C20H25N3O3 — CID 92550579

IUPACN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
SMILESCOCCC(=O)N1CCC(c2nc3ccccc3cc2NC(C)=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)21-18-13-16-5-3-4-6-17(16)22-20(18)15-7-10-23(11-8-15)19(25)9-12-26-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,24)
InChIKeyFHEQNELDUADKLL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide

N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide (PubChem CID 92550579) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
PubChem CID92550579
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
SMILESCOCCC(=O)N1CCC(c2nc3ccccc3cc2NC(C)=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)21-18-13-16-5-3-4-6-17(16)22-20(18)15-7-10-23(11-8-15)19(25)9-12-26-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,24)
InChIKeyFHEQNELDUADKLL-UHFFFAOYSA-N
XLogP2.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide?
The IUPAC name of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide (CID 92550579) is N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide?
The canonical SMILES for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide is COCCC(=O)N1CCC(c2nc3ccccc3cc2NC(C)=O)CC1.
What is the InChIKey of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide?
The InChIKey is FHEQNELDUADKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(24)21-18-13-16-5-3-4-6-17(16)22-20(18)15-7-10-23(11-8-15)19(25)9-12-26-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide?
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide is sourced from PubChem (CID 92550579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).