1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide

C23H25N3O — CID 113209224

IUPAC1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c27-22(23(12-13-23)20-16-24-21-7-3-2-6-19(20)21)25-17-8-10-18(11-9-17)26-14-4-1-5-15-26/h2-3,6-11,16,24H,1,4-5,12-15H2,(H,25,27)
InChIKeySOUGWUKQNQKAIX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.83
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 113209224) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID113209224
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c27-22(23(12-13-23)20-16-24-21-7-3-2-6-19(20)21)25-17-8-10-18(11-9-17)26-14-4-1-5-15-26/h2-3,6-11,16,24H,1,4-5,12-15H2,(H,25,27)
InChIKeySOUGWUKQNQKAIX-UHFFFAOYSA-N
XLogP4.83
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 55498493
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 113209224) is 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SOUGWUKQNQKAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-22(23(12-13-23)20-16-24-21-7-3-2-6-19(20)21)25-17-8-10-18(11-9-17)26-14-4-1-5-15-26/h2-3,6-11,16,24H,1,4-5,12-15H2,(H,25,27).
What are the key properties of 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).