N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide

C19H25N3O3 — CID 95718613

IUPACN-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H25N3O3/c1-14(23)20-11-5-9-17(24)22-12-6-10-19(13-22)15-7-3-4-8-16(15)21(2)18(19)25/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyBUDMDGOROQPTJO-LJQANCHMSA-N
MW343.43 g/mol
LogP1.44
Rot. Bonds4

About N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide

N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide (PubChem CID 95718613) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
PubChem CID95718613
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H25N3O3/c1-14(23)20-11-5-9-17(24)22-12-6-10-19(13-22)15-7-3-4-8-16(15)21(2)18(19)25/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23)/t19-/m1/s1
InChIKeyBUDMDGOROQPTJO-LJQANCHMSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 125162169
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
CID 134795564

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide?
The IUPAC name of N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide (CID 95718613) is N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide?
The InChIKey is BUDMDGOROQPTJO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(23)20-11-5-9-17(24)22-12-6-10-19(13-22)15-7-3-4-8-16(15)21(2)18(19)25/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23)/t19-/m1/s1.
What are the key properties of N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide?
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide is sourced from PubChem (CID 95718613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).