10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C22H29N3O5 — CID 146066846

IUPAC10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCOCCCN1C(=O)CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC12CCOC2
InChIInChI=1S/C22H29N3O5/c1-28-10-3-8-25-20(26)6-9-24(14-22(25)7-11-30-15-22)21(27)19-12-16-4-5-17(29-2)13-18(16)23-19/h4-5,12-13,23H,3,6-11,14-15H2,1-2H3
InChIKeyBIFZUVSVRAHYJU-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.05
Rot. Bonds6

About 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066846) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066846
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCOCCCN1C(=O)CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC12CCOC2
InChIInChI=1S/C22H29N3O5/c1-28-10-3-8-25-20(26)6-9-24(14-22(25)7-11-30-15-22)21(27)19-12-16-4-5-17(29-2)13-18(16)23-19/h4-5,12-13,23H,3,6-11,14-15H2,1-2H3
InChIKeyBIFZUVSVRAHYJU-UHFFFAOYSA-N
XLogP2.05
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 5330528
Bis(1H-2-indolyl)methanone 45
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4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 90936717
N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 143139096
4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 154702362
N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 154702364
N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-YL)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide
CID 156907357
acs.jmedchem.1c00409_ST.1
CID 11670042
(3-hydroxypyrrolidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 11566918

Frequently Asked Questions

What is the IUPAC name of 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066846) is 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is COCCCN1C(=O)CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC12CCOC2.
What is the InChIKey of 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is BIFZUVSVRAHYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-28-10-3-8-25-20(26)6-9-24(14-22(25)7-11-30-15-22)21(27)19-12-16-4-5-17(29-2)13-18(16)23-19/h4-5,12-13,23H,3,6-11,14-15H2,1-2H3.
What are the key properties of 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 415.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).