3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide

C22H35N3O2 — CID 70254064

IUPAC3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(CCCN2C(=O)CCC3=CCCC=C32)CC1
InChIInChI=1S/C22H35N3O2/c1-17(2)16-21(26)23-19-10-14-24(15-11-19)12-5-13-25-20-7-4-3-6-18(20)8-9-22(25)27/h6-7,17,19H,3-5,8-16H2,1-2H3,(H,23,26)
InChIKeyVFOMIBWOZYRWMO-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.23
Rot. Bonds7

About 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide

3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide (PubChem CID 70254064) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide
PubChem CID70254064
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(CCCN2C(=O)CCC3=CCCC=C32)CC1
InChIInChI=1S/C22H35N3O2/c1-17(2)16-21(26)23-19-10-14-24(15-11-19)12-5-13-25-20-7-4-3-6-18(20)8-9-22(25)27/h6-7,17,19H,3-5,8-16H2,1-2H3,(H,23,26)
InChIKeyVFOMIBWOZYRWMO-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide (CID 70254064) is 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide is CC(C)CC(=O)NC1CCN(CCCN2C(=O)CCC3=CCCC=C32)CC1.
What is the InChIKey of 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide?
The InChIKey is VFOMIBWOZYRWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17(2)16-21(26)23-19-10-14-24(15-11-19)12-5-13-25-20-7-4-3-6-18(20)8-9-22(25)27/h6-7,17,19H,3-5,8-16H2,1-2H3,(H,23,26).
What are the key properties of 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide?
3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide has a molecular weight of 373.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-(2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 70254064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).