4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide

C26H32N4O4 — CID 159771206

IUPAC4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2
InChIInChI=1S/C26H32N4O4/c1-33-22-8-7-21(29-13-15-34-16-14-29)24-20(22)17-23(27-24)28-25(31)30-11-9-26(32,10-12-30)18-19-5-3-2-4-6-19/h2-8,32H,9-18H2,1H3,(H,27,28,31)
InChIKeyNGDDQIUHIRFNQA-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.90
Rot. Bonds4

About 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide

4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide (PubChem CID 159771206) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide
PubChem CID159771206
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2
InChIInChI=1S/C26H32N4O4/c1-33-22-8-7-21(29-13-15-34-16-14-29)24-20(22)17-23(27-24)28-25(31)30-11-9-26(32,10-12-30)18-19-5-3-2-4-6-19/h2-8,32H,9-18H2,1H3,(H,27,28,31)
InChIKeyNGDDQIUHIRFNQA-UHFFFAOYSA-N
XLogP2.90
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide
CID 149196943
[1-[2-[Hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate
CID 158050171
[4-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]morpholin-2-yl]methyl carbamate
CID 158946414
N-[7-(azepan-1-yl)-4-methoxy-3H-indol-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 160042923
N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 161029359
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide
CID 161182428
aminomethylidene-(2-formamido-4-methoxy-3H-indol-7-yl)-(methyliminomethyl)azanium;4-methylpiperidine;hydrate
CID 161447119
4-methoxy-7-morpholin-4-yl-3H-indol-2-amine
CID 167535004
[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl cyanate
CID 167570500
(2E,4E)-2-ethenyl-N-[4-methoxy-7-(1,4-oxazepan-4-yl)-3H-indol-2-yl]-N',N'-dimethylhexa-2,4-dienediamide
CID 167572684
4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide
CID 167657416
Tert-butyl 4-(6-amino-2-methyl-3-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 167699751

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide (CID 159771206) is 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2.
What is the InChIKey of 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide?
The InChIKey is NGDDQIUHIRFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-22-8-7-21(29-13-15-34-16-14-29)24-20(22)17-23(27-24)28-25(31)30-11-9-26(32,10-12-30)18-19-5-3-2-4-6-19/h2-8,32H,9-18H2,1H3,(H,27,28,31).
What are the key properties of 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide?
4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 159771206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).