3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one

C24H29N5O2 — CID 154806869

IUPAC3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCN1CCN(c2cc(C(=O)N3CCC(C4C(=O)Nc5ccccc54)CC3)ccn2)CC1
InChIInChI=1S/C24H29N5O2/c1-27-12-14-28(15-13-27)21-16-18(6-9-25-21)24(31)29-10-7-17(8-11-29)22-19-4-2-3-5-20(19)26-23(22)30/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,26,30)
InChIKeySWJJHCMRDAKUHJ-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.42
Rot. Bonds3

About 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 154806869) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID154806869
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCN1CCN(c2cc(C(=O)N3CCC(C4C(=O)Nc5ccccc54)CC3)ccn2)CC1
InChIInChI=1S/C24H29N5O2/c1-27-12-14-28(15-13-27)21-16-18(6-9-25-21)24(31)29-10-7-17(8-11-29)22-19-4-2-3-5-20(19)26-23(22)30/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,26,30)
InChIKeySWJJHCMRDAKUHJ-UHFFFAOYSA-N
XLogP2.42
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[1-[4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 143674732
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 136530546
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110150215
3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833822
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154833831
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one (CID 154806869) is 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one is CN1CCN(c2cc(C(=O)N3CCC(C4C(=O)Nc5ccccc54)CC3)ccn2)CC1.
What is the InChIKey of 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is SWJJHCMRDAKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-27-12-14-28(15-13-27)21-16-18(6-9-25-21)24(31)29-10-7-17(8-11-29)22-19-4-2-3-5-20(19)26-23(22)30/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,26,30).
What are the key properties of 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 419.53 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154806869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).