6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide

C24H29N5O4 — CID 19337046

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide
SMILESCn1ncc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1C(=O)N1CCCCC1
InChIInChI=1S/C24H29N5O4/c1-27-21(24(33)28-13-7-3-8-14-28)19(16-25-27)26-20(30)12-4-2-9-15-29-22(31)17-10-5-6-11-18(17)23(29)32/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,26,30)
InChIKeyHJZAESSEMIMQTD-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.84
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide (PubChem CID 19337046) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide
PubChem CID19337046
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide
SMILESCn1ncc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1C(=O)N1CCCCC1
InChIInChI=1S/C24H29N5O4/c1-27-21(24(33)28-13-7-3-8-14-28)19(16-25-27)26-20(30)12-4-2-9-15-29-22(31)17-10-5-6-11-18(17)23(29)32/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,26,30)
InChIKeyHJZAESSEMIMQTD-UHFFFAOYSA-N
XLogP2.84
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338683
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338675
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide (CID 19337046) is 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide is Cn1ncc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1C(=O)N1CCCCC1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide?
The InChIKey is HJZAESSEMIMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-27-21(24(33)28-13-7-3-8-14-28)19(16-25-27)26-20(30)12-4-2-9-15-29-22(31)17-10-5-6-11-18(17)23(29)32/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,26,30).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide has a molecular weight of 451.53 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide is sourced from PubChem (CID 19337046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).