1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide

C26H30N4O4 — CID 55767875

IUPAC1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(CN3CCC(C(N)=O)CC3)c1)C2=O
InChIInChI=1S/C26H30N4O4/c1-17-7-8-21-22(14-17)26(34)30(25(21)33)11-3-6-23(31)28-20-5-2-4-18(15-20)16-29-12-9-19(10-13-29)24(27)32/h2,4-5,7-8,14-15,19H,3,6,9-13,16H2,1H3,(H2,27,32)(H,28,31)
InChIKeyHSHWUQSFTOLQTI-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.71
Rot. Bonds8

About 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55767875) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55767875
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(CN3CCC(C(N)=O)CC3)c1)C2=O
InChIInChI=1S/C26H30N4O4/c1-17-7-8-21-22(14-17)26(34)30(25(21)33)11-3-6-23(31)28-20-5-2-4-18(15-20)16-29-12-9-19(10-13-29)24(27)32/h2,4-5,7-8,14-15,19H,3,6,9-13,16H2,1H3,(H2,27,32)(H,28,31)
InChIKeyHSHWUQSFTOLQTI-UHFFFAOYSA-N
XLogP2.71
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
1-[[3-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55859277
1-[[3-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55859803
1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 51956887
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide (CID 55767875) is 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(CN3CCC(C(N)=O)CC3)c1)C2=O.
What is the InChIKey of 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is HSHWUQSFTOLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-7-8-21-22(14-17)26(34)30(25(21)33)11-3-6-23(31)28-20-5-2-4-18(15-20)16-29-12-9-19(10-13-29)24(27)32/h2,4-5,7-8,14-15,19H,3,6,9-13,16H2,1H3,(H2,27,32)(H,28,31).
What are the key properties of 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55767875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).