N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide

C21H23N3O2 — CID 71809682

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-26-19-9-12-24(13-10-19)18-6-4-17(5-7-18)23-21(25)16-3-2-15-8-11-22-20(15)14-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyIUTUKAZZJRSYEU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide (PubChem CID 71809682) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
PubChem CID71809682
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-26-19-9-12-24(13-10-19)18-6-4-17(5-7-18)23-21(25)16-3-2-15-8-11-22-20(15)14-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyIUTUKAZZJRSYEU-UHFFFAOYSA-N
XLogP4.04
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.04
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-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide
CID 67113560
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
N-[3-chloro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-indole-5-carboxamide
CID 67113306
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide (CID 71809682) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide is COC1CCN(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide?
The InChIKey is IUTUKAZZJRSYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-19-9-12-24(13-10-19)18-6-4-17(5-7-18)23-21(25)16-3-2-15-8-11-22-20(15)14-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 71809682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).