6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H28N4O2 — CID 91793447

IUPAC6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN1CCN(CCC2CCCCN2C(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-20-11-13-21(14-12-20)10-8-15-5-2-3-9-22(15)18(24)16-6-4-7-17(23)19-16/h4,6-7,15H,2-3,5,8-14H2,1H3,(H,19,23)
InChIKeyRTTMEFQNPWZTTP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.01
Rot. Bonds4

About 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one

6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91793447) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91793447
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN1CCN(CCC2CCCCN2C(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-20-11-13-21(14-12-20)10-8-15-5-2-3-9-22(15)18(24)16-6-4-7-17(23)19-16/h4,6-7,15H,2-3,5,8-14H2,1H3,(H,19,23)
InChIKeyRTTMEFQNPWZTTP-UHFFFAOYSA-N
XLogP1.01
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539
6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114040292
(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-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 91793447) is 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one is CN1CCN(CCC2CCCCN2C(=O)c2cccc(=O)[nH]2)CC1.
What is the InChIKey of 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RTTMEFQNPWZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-11-13-21(14-12-20)10-8-15-5-2-3-9-22(15)18(24)16-6-4-7-17(23)19-16/h4,6-7,15H,2-3,5,8-14H2,1H3,(H,19,23).
What are the key properties of 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91793447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).