(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide

C16H26N4O4 — CID 97439101

IUPAC(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12
InChIInChI=1S/C16H26N4O4/c1-18(2)15(23)20-8-11-12(9-20)16(17-14(11)22)4-6-19(7-5-16)13(21)10-24-3/h11-12H,4-10H2,1-3H3,(H,17,22)/t11-,12+/m0/s1
InChIKeyAXYUUROJQBJGFP-NWDGAFQWSA-N
MW338.41 g/mol
LogP-0.65
Rot. Bonds2

About (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide

(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (PubChem CID 97439101) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
PubChem CID97439101
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12
InChIInChI=1S/C16H26N4O4/c1-18(2)15(23)20-8-11-12(9-20)16(17-14(11)22)4-6-19(7-5-16)13(21)10-24-3/h11-12H,4-10H2,1-3H3,(H,17,22)/t11-,12+/m0/s1
InChIKeyAXYUUROJQBJGFP-NWDGAFQWSA-N
XLogP-0.65
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide with MolForge

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Related Compounds

(3aR,6aS)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 125216031
4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
(3aR,6aS)-1'-[2-(2-chlorophenyl)acetyl]-5-(2-methylbutyl)spiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 131679519
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
(3aR,6aS)-5-ethyl-1'-(2-methoxyacetyl)-2-(2-methoxyethyl)spiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 124831442
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
(3aR,6aS)-1'-(5-methylfuran-2-carbonyl)-5-pentan-2-ylspiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 131681097
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440368
N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 42771956
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide (CID 97439101) is (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is COCC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12.
What is the InChIKey of (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
The InChIKey is AXYUUROJQBJGFP-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-18(2)15(23)20-8-11-12(9-20)16(17-14(11)22)4-6-19(7-5-16)13(21)10-24-3/h11-12H,4-10H2,1-3H3,(H,17,22)/t11-,12+/m0/s1.
What are the key properties of (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide?
(3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-1'-(2-methoxyacetyl)-N,N-dimethyl-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 97439101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).