[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone

C20H26N4O — CID 119437588

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C20H26N4O/c1-15(21)18-10-6-7-13-24(18)20(25)16-11-12-19(22-14-16)23(2)17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,18H,6-7,10,13,21H2,1-2H3
InChIKeyKNZMZPJXMAPGAU-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.19
Rot. Bonds4

About [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone

[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone (PubChem CID 119437588) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
PubChem CID119437588
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C20H26N4O/c1-15(21)18-10-6-7-13-24(18)20(25)16-11-12-19(22-14-16)23(2)17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,18H,6-7,10,13,21H2,1-2H3
InChIKeyKNZMZPJXMAPGAU-UHFFFAOYSA-N
XLogP3.19
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone (CID 119437588) is [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone is CC(N)C1CCCCN1C(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone?
The InChIKey is KNZMZPJXMAPGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(21)18-10-6-7-13-24(18)20(25)16-11-12-19(22-14-16)23(2)17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,18H,6-7,10,13,21H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone?
[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone has a molecular weight of 338.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 119437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).