[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C20H26N4O — CID 39503795

IUPAC[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-22(2)19-9-8-18(16-21-19)20(25)24-14-12-23(13-15-24)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyWNRYMFFLJIAJGG-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.15
Rot. Bonds5

About [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 39503795) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID39503795
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-22(2)19-9-8-18(16-21-19)20(25)24-14-12-23(13-15-24)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKeyWNRYMFFLJIAJGG-UHFFFAOYSA-N
XLogP2.15
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 91625393
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
[6-(dimethylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56811923
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
CID 48851794
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 39503795) is [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is WNRYMFFLJIAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22(2)19-9-8-18(16-21-19)20(25)24-14-12-23(13-15-24)11-10-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39503795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).