1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one

C23H32N4O — CID 110221652

IUPAC1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C23H32N4O/c1-17-6-4-5-12-26(17)15-11-22(28)27-13-9-18(10-14-27)23-20(24)16-19-7-2-3-8-21(19)25-23/h2-3,7-8,16-18H,4-6,9-15,24H2,1H3
InChIKeyQEAQZSNSEQIBTP-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.79
Rot. Bonds4

About 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one

1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 110221652) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID110221652
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C23H32N4O/c1-17-6-4-5-12-26(17)15-11-22(28)27-13-9-18(10-14-27)23-20(24)16-19-7-2-3-8-21(19)25-23/h2-3,7-8,16-18H,4-6,9-15,24H2,1H3
InChIKeyQEAQZSNSEQIBTP-UHFFFAOYSA-N
XLogP3.79
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one (CID 110221652) is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1.
What is the InChIKey of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is QEAQZSNSEQIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17-6-4-5-12-26(17)15-11-22(28)27-13-9-18(10-14-27)23-20(24)16-19-7-2-3-8-21(19)25-23/h2-3,7-8,16-18H,4-6,9-15,24H2,1H3.
What are the key properties of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one?
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 380.54 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).