N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide

C26H29N5O4 — CID 36750951

IUPACN-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2nc3n(c2n1)CCCCC3
InChIInChI=1S/C26H29N5O4/c1-16-13-19(23-24(27-16)31-10-4-2-3-5-22(31)29-23)26(33)30-11-8-17(9-12-30)25(32)28-18-6-7-20-21(14-18)35-15-34-20/h6-7,13-14,17H,2-5,8-12,15H2,1H3,(H,28,32)
InChIKeyPNQJWSXCNLKAGN-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.69
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide (PubChem CID 36750951) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide
PubChem CID36750951
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2nc3n(c2n1)CCCCC3
InChIInChI=1S/C26H29N5O4/c1-16-13-19(23-24(27-16)31-10-4-2-3-5-22(31)29-23)26(33)30-11-8-17(9-12-30)25(32)28-18-6-7-20-21(14-18)35-15-34-20/h6-7,13-14,17H,2-5,8-12,15H2,1H3,(H,28,32)
InChIKeyPNQJWSXCNLKAGN-UHFFFAOYSA-N
XLogP3.69
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
N-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboxamide
CID 41410485
N-(1,3-benzodioxol-5-yl)-1-(2-chloroquinoline-6-carbonyl)piperidine-4-carboxamide
CID 55731130
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
N-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313483
N-(1,3-benzodioxol-5-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55788859
N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
CID 16590027
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55788858

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide (CID 36750951) is N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2nc3n(c2n1)CCCCC3.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is PNQJWSXCNLKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-16-13-19(23-24(27-16)31-10-4-2-3-5-22(31)29-23)26(33)30-11-8-17(9-12-30)25(32)28-18-6-7-20-21(14-18)35-15-34-20/h6-7,13-14,17H,2-5,8-12,15H2,1H3,(H,28,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 36750951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).