1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one

C22H32N2O2 — CID 87025069

IUPAC1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCCc3cc(C(C)C)ccc32)CC1
InChIInChI=1S/C22H32N2O2/c1-4-6-21(25)23-13-10-17(11-14-23)22(26)24-12-5-7-19-15-18(16(2)3)8-9-20(19)24/h8-9,15-17H,4-7,10-14H2,1-3H3
InChIKeyNGZDIJPYVPSMBI-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.13
Rot. Bonds4

About 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one

1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 87025069) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID87025069
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCCc3cc(C(C)C)ccc32)CC1
InChIInChI=1S/C22H32N2O2/c1-4-6-21(25)23-13-10-17(11-14-23)22(26)24-12-5-7-19-15-18(16(2)3)8-9-20(19)24/h8-9,15-17H,4-7,10-14H2,1-3H3
InChIKeyNGZDIJPYVPSMBI-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one (CID 87025069) is 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(=O)N2CCCc3cc(C(C)C)ccc32)CC1.
What is the InChIKey of 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is NGZDIJPYVPSMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-6-21(25)23-13-10-17(11-14-23)22(26)24-12-5-7-19-15-18(16(2)3)8-9-20(19)24/h8-9,15-17H,4-7,10-14H2,1-3H3.
What are the key properties of 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one?
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 356.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 87025069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).