[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C20H33N5O — CID 125169892

IUPAC[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)c2cccnc2N(C)C)CC1
InChIInChI=1S/C20H33N5O/c1-22(2)19-18(8-6-10-21-19)20(26)25-11-5-4-7-17(25)9-12-24-15-13-23(3)14-16-24/h6,8,10,17H,4-5,7,9,11-16H2,1-3H3/t17-/m0/s1
InChIKeyZYOFBRFQGCIHJF-KRWDZBQOSA-N
MW359.52 g/mol
LogP1.78
Rot. Bonds5

About [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 125169892) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID125169892
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)c2cccnc2N(C)C)CC1
InChIInChI=1S/C20H33N5O/c1-22(2)19-18(8-6-10-21-19)20(26)25-11-5-4-7-17(25)9-12-24-15-13-23(3)14-16-24/h6,8,10,17H,4-5,7,9,11-16H2,1-3H3/t17-/m0/s1
InChIKeyZYOFBRFQGCIHJF-KRWDZBQOSA-N
XLogP1.78
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
[2-(1H-imidazol-2-yl)phenyl]-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70756590
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 125169892) is [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cccnc2N(C)C)CC1.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is ZYOFBRFQGCIHJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-22(2)19-18(8-6-10-21-19)20(26)25-11-5-4-7-17(25)9-12-24-15-13-23(3)14-16-24/h6,8,10,17H,4-5,7,9,11-16H2,1-3H3/t17-/m0/s1.
What are the key properties of [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 359.52 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125169892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).