N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide

C20H28N4O — CID 171702415

IUPACN,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCN(CC1CCN(c2cnc3ccccc3n2)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)23(4)14-15-9-11-24(12-10-15)18-13-21-16-7-5-6-8-17(16)22-18/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyGFWQOUAPYPZDNK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.35
Rot. Bonds3

About N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide

N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 171702415) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
PubChem CID171702415
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCN(CC1CCN(c2cnc3ccccc3n2)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)23(4)14-15-9-11-24(12-10-15)18-13-21-16-7-5-6-8-17(16)22-18/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyGFWQOUAPYPZDNK-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide (CID 171702415) is N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide is CN(CC1CCN(c2cnc3ccccc3n2)CC1)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is GFWQOUAPYPZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)19(25)23(4)14-15-9-11-24(12-10-15)18-13-21-16-7-5-6-8-17(16)22-18/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide?
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 171702415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).