3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide

C25H29N3O2 — CID 26325271

IUPAC3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)c(C)c2c1
InChIInChI=1S/C25H29N3O2/c1-17-8-10-22-21(16-17)18(2)24(27-22)25(30)28-14-12-19(13-15-28)9-11-23(29)26-20-6-4-3-5-7-20/h3-8,10,16,19,27H,9,11-15H2,1-2H3,(H,26,29)
InChIKeySYEDVGHRGNXJJA-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.06
Rot. Bonds5

About 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide

3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 26325271) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID26325271
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)c(C)c2c1
InChIInChI=1S/C25H29N3O2/c1-17-8-10-22-21(16-17)18(2)24(27-22)25(30)28-14-12-19(13-15-28)9-11-23(29)26-20-6-4-3-5-7-20/h3-8,10,16,19,27H,9,11-15H2,1-2H3,(H,26,29)
InChIKeySYEDVGHRGNXJJA-UHFFFAOYSA-N
XLogP5.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26396661
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70743647
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
3-(1-acetylpiperidin-4-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 99591289
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide (CID 26325271) is 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide is Cc1ccc2[nH]c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)c(C)c2c1.
What is the InChIKey of 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is SYEDVGHRGNXJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-8-10-22-21(16-17)18(2)24(27-22)25(30)28-14-12-19(13-15-28)9-11-23(29)26-20-6-4-3-5-7-20/h3-8,10,16,19,27H,9,11-15H2,1-2H3,(H,26,29).
What are the key properties of 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 403.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 26325271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).