1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

C23H32N4O3 — CID 126459541

IUPAC1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)NCCCN1CCOCC1)CC1CCCN12
InChIInChI=1S/C23H32N4O3/c1-25-20-8-3-2-7-18(20)23(22(25)29)19(16-17-6-4-11-27(17)23)21(28)24-9-5-10-26-12-14-30-15-13-26/h2-3,7-8,17,19H,4-6,9-16H2,1H3,(H,24,28)
InChIKeyFATPMONVCXEQHS-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.18
Rot. Bonds5

About 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 126459541) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound Name1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID126459541
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)NCCCN1CCOCC1)CC1CCCN12
InChIInChI=1S/C23H32N4O3/c1-25-20-8-3-2-7-18(20)23(22(25)29)19(16-17-6-4-11-27(17)23)21(28)24-9-5-10-26-12-14-30-15-13-26/h2-3,7-8,17,19H,4-6,9-16H2,1H3,(H,24,28)
InChIKeyFATPMONVCXEQHS-UHFFFAOYSA-N
XLogP1.18
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.18
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

N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459734
N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459729
formic acid;(2R,3R,8R)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 166599469
(2R,3R,8R)-2'-oxo-N-[3-(triazol-1-yl)propyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163310672
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
2-cyclopropyl-3-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 46112625
(2S,3R,8R)-2'-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163304744
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
(2S)-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 38103410
1'-methyl-N-(3-morpholin-4-ylpropyl)-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
CID 110220282
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 51608498
(2R)-4-methylsulfonyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92677215

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 126459541) is 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is CN1C(=O)C2(c3ccccc31)C(C(=O)NCCCN1CCOCC1)CC1CCCN12.
What is the InChIKey of 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is FATPMONVCXEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-25-20-8-3-2-7-18(20)23(22(25)29)19(16-17-6-4-11-27(17)23)21(28)24-9-5-10-26-12-14-30-15-13-26/h2-3,7-8,17,19H,4-6,9-16H2,1H3,(H,24,28).
What are the key properties of 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 126459541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).