N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide

C20H26N4O2 — CID 146193122

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O2/c1-13(21)20(26)24-11-9-15(10-12-24)14(2)22-19(25)18-8-7-16-5-3-4-6-17(16)23-18/h3-8,13-15H,9-12,21H2,1-2H3,(H,22,25)
InChIKeyGIJOIUWGVZXKLM-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide (PubChem CID 146193122) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
PubChem CID146193122
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O2/c1-13(21)20(26)24-11-9-15(10-12-24)14(2)22-19(25)18-8-7-16-5-3-4-6-17(16)23-18/h3-8,13-15H,9-12,21H2,1-2H3,(H,22,25)
InChIKeyGIJOIUWGVZXKLM-UHFFFAOYSA-N
XLogP1.94
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide (CID 146193122) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide?
The InChIKey is GIJOIUWGVZXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(21)20(26)24-11-9-15(10-12-24)14(2)22-19(25)18-8-7-16-5-3-4-6-17(16)23-18/h3-8,13-15H,9-12,21H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 146193122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).