2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide

C16H20N4O — CID 63883886

IUPAC2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCC2CCNCC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c17-16(21)13-9-15(19-10-11-5-7-18-8-6-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20)
InChIKeyJJDCMRHZFKXXNO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds4

About 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide

2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide (PubChem CID 63883886) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
PubChem CID63883886
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCC2CCNCC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c17-16(21)13-9-15(19-10-11-5-7-18-8-6-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20)
InChIKeyJJDCMRHZFKXXNO-UHFFFAOYSA-N
XLogP1.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
CID 63884282
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
CID 63885442
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide?
The IUPAC name of 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide (CID 63883886) is 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide is NC(=O)c1cc(NCC2CCNCC2)nc2ccccc12.
What is the InChIKey of 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide?
The InChIKey is JJDCMRHZFKXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(21)13-9-15(19-10-11-5-7-18-8-6-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20).
What are the key properties of 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide?
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide is sourced from PubChem (CID 63883886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).