1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone

C19H30N4O — CID 125167186

IUPAC1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-21-12-14-22(15-13-21)11-8-18-7-3-5-10-23(18)19(24)16-17-6-2-4-9-20-17/h2,4,6,9,18H,3,5,7-8,10-16H2,1H3/t18-/m0/s1
InChIKeyILKLMTVWUHITTN-SFHVURJKSA-N
MW330.48 g/mol
LogP1.64
Rot. Bonds5

About 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 125167186) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID125167186
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-21-12-14-22(15-13-21)11-8-18-7-3-5-10-23(18)19(24)16-17-6-2-4-9-20-17/h2,4,6,9,18H,3,5,7-8,10-16H2,1H3/t18-/m0/s1
InChIKeyILKLMTVWUHITTN-SFHVURJKSA-N
XLogP1.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 125169892
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
CID 125158868
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
2-[2-(4-methylpiperazin-1-yl)ethyl]-N-(1-phenylcyclopropyl)piperidine-1-carboxamide
CID 121496338

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 125167186) is 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone is CN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is ILKLMTVWUHITTN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-12-14-22(15-13-21)11-8-18-7-3-5-10-23(18)19(24)16-17-6-2-4-9-20-17/h2,4,6,9,18H,3,5,7-8,10-16H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 330.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 125167186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).