1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C23H26N4O4 — CID 59727869

IUPAC1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H26N4O4/c1-31-22-5-4-20(27(29)30)14-17(22)6-10-25-11-8-19(9-12-25)26-13-7-16-2-3-18(23(24)28)15-21(16)26/h2-5,7,13-15,19H,6,8-12H2,1H3,(H2,24,28)
InChIKeyVUWSROBAPPLSDM-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.54
Rot. Bonds7

About 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727869) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727869
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H26N4O4/c1-31-22-5-4-20(27(29)30)14-17(22)6-10-25-11-8-19(9-12-25)26-13-7-16-2-3-18(23(24)28)15-21(16)26/h2-5,7,13-15,19H,6,8-12H2,1H3,(H2,24,28)
InChIKeyVUWSROBAPPLSDM-UHFFFAOYSA-N
XLogP3.54
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727867
1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727816
1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727765
ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 143271947
1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11719850
1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727853
1-[1-[2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 141236569
1-[1-[2-(5-methoxy-1-oxo-2,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11683433
1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 58970097
1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727851
1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727875
1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11626189

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727869) is 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc([N+](=O)[O-])cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is VUWSROBAPPLSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-31-22-5-4-20(27(29)30)14-17(22)6-10-25-11-8-19(9-12-25)26-13-7-16-2-3-18(23(24)28)15-21(16)26/h2-5,7,13-15,19H,6,8-12H2,1H3,(H2,24,28).
What are the key properties of 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).