(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

C19H25N3O3 — CID 97460307

IUPAC(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
SMILESO=C1CCCN1[C@@H]1CN(C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C19H25N3O3/c23-17-9-4-10-21(17)16-13-22(15-8-5-11-25-18(15)16)19(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,20,24)/t15-,16-,18+/m1/s1
InChIKeyQVCYVYIAZPQSPO-NUJGCVRESA-N
MW343.43 g/mol
LogP1.75
Rot. Bonds3

About (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide (PubChem CID 97460307) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
PubChem CID97460307
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
SMILESO=C1CCCN1[C@@H]1CN(C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C19H25N3O3/c23-17-9-4-10-21(17)16-13-22(15-8-5-11-25-18(15)16)19(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,20,24)/t15-,16-,18+/m1/s1
InChIKeyQVCYVYIAZPQSPO-NUJGCVRESA-N
XLogP1.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,3aS,7aR)-1-[2-(4-fluorophenyl)acetyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrrolidin-2-one
CID 98777413
1-[(3R,3aS,7aR)-1-(1H-pyrrole-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrrolidin-2-one
CID 97386965
N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195205
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
CID 155901269
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
CID 110821703
benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 67972328
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
1-[(4aR,5S,8aS)-1-benzoyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-5-yl]pyrrolidin-2-one
CID 122202817

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The IUPAC name of (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide (CID 97460307) is (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The canonical SMILES for (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide is O=C1CCCN1[C@@H]1CN(C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12.
What is the InChIKey of (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The InChIKey is QVCYVYIAZPQSPO-NUJGCVRESA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-9-4-10-21(17)16-13-22(15-8-5-11-25-18(15)16)19(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,20,24)/t15-,16-,18+/m1/s1.
What are the key properties of (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
(3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,7aR)-N-benzyl-3-(2-oxopyrrolidin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide is sourced from PubChem (CID 97460307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).