1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide

C21H23N3O — CID 60527502

IUPAC1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-19-8-4-3-7-16(19)15-20(23)21(25)22-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,25)
InChIKeyLXVMEZXRGLGELE-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.42
Rot. Bonds3

About 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide

1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide (PubChem CID 60527502) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
PubChem CID60527502
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2ccccc21
InChIInChI=1S/C21H23N3O/c1-23-19-8-4-3-7-16(19)15-20(23)21(25)22-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,25)
InChIKeyLXVMEZXRGLGELE-UHFFFAOYSA-N
XLogP4.42
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
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

1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
CID 7327969
1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862214
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide
CID 141451666
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane
CID 91474191
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide (CID 60527502) is 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide?
The InChIKey is LXVMEZXRGLGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-19-8-4-3-7-16(19)15-20(23)21(25)22-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,25).
What are the key properties of 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide?
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide is sourced from PubChem (CID 60527502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).