N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide

C21H23N3O2 — CID 121141605

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-19-3-2-12-24(14-19)18-7-5-17(6-8-18)23-21(25)16-4-9-20-15(13-16)10-11-22-20/h4-11,13,19,22H,2-3,12,14H2,1H3,(H,23,25)
InChIKeyBCQHOKSTNRTVHM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide (PubChem CID 121141605) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
PubChem CID121141605
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-19-3-2-12-24(14-19)18-7-5-17(6-8-18)23-21(25)16-4-9-20-15(13-16)10-11-22-20/h4-11,13,19,22H,2-3,12,14H2,1H3,(H,23,25)
InChIKeyBCQHOKSTNRTVHM-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]-1H-indole-6-carboxamide
CID 71809682
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide (CID 121141605) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide is COC1CCCN(c2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide?
The InChIKey is BCQHOKSTNRTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-19-3-2-12-24(14-19)18-7-5-17(6-8-18)23-21(25)16-4-9-20-15(13-16)10-11-22-20/h4-11,13,19,22H,2-3,12,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-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-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 121141605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).