[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone

C28H33N3O5 — CID 178132612

IUPAC[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccc(O)cc32)cc1)N1CCOCC1
InChIInChI=1S/C28H33N3O5/c32-23-8-9-24-25(28(34)30-13-17-36-18-14-30)20-31(26(24)19-23)10-2-1-3-21-4-6-22(7-5-21)27(33)29-11-15-35-16-12-29/h4-9,19-20,32H,1-3,10-18H2
InChIKeyNNDAZYREPDFEQP-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.31
Rot. Bonds7

About [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone

[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 178132612) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
PubChem CID178132612
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Name[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccc(O)cc32)cc1)N1CCOCC1
InChIInChI=1S/C28H33N3O5/c32-23-8-9-24-25(28(34)30-13-17-36-18-14-30)20-31(26(24)19-23)10-2-1-3-21-4-6-22(7-5-21)27(33)29-11-15-35-16-12-29/h4-9,19-20,32H,1-3,10-18H2
InChIKeyNNDAZYREPDFEQP-UHFFFAOYSA-N
XLogP3.31
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778

Frequently Asked Questions

What is the IUPAC name of [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone (CID 178132612) is [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(CCCCn2cc(C(=O)N3CCOCC3)c3ccc(O)cc32)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NNDAZYREPDFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c32-23-8-9-24-25(28(34)30-13-17-36-18-14-30)20-31(26(24)19-23)10-2-1-3-21-4-6-22(7-5-21)27(33)29-11-15-35-16-12-29/h4-9,19-20,32H,1-3,10-18H2.
What are the key properties of [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone?
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 491.59 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).