2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C26H32N4O — CID 55498493

IUPAC2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H32N4O/c31-26(28-21-8-10-22(11-9-21)30-14-4-1-5-15-30)19-29-16-12-20(13-17-29)24-18-27-25-7-3-2-6-23(24)25/h2-3,6-11,18,20,27H,1,4-5,12-17,19H2,(H,28,31)
InChIKeyYPDYWUGCRSHEEA-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.98
Rot. Bonds5

About 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 55498493) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID55498493
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H32N4O/c31-26(28-21-8-10-22(11-9-21)30-14-4-1-5-15-30)19-29-16-12-20(13-17-29)24-18-27-25-7-3-2-6-23(24)25/h2-3,6-11,18,20,27H,1,4-5,12-17,19H2,(H,28,31)
InChIKeyYPDYWUGCRSHEEA-UHFFFAOYSA-N
XLogP4.98
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1436961
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 55498493) is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is YPDYWUGCRSHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c31-26(28-21-8-10-22(11-9-21)30-14-4-1-5-15-30)19-29-16-12-20(13-17-29)24-18-27-25-7-3-2-6-23(24)25/h2-3,6-11,18,20,27H,1,4-5,12-17,19H2,(H,28,31).
What are the key properties of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55498493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).