(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide

C20H27N3O2 — CID 99778301

IUPAC(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESO=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1
InChIInChI=1S/C20H27N3O2/c24-19-9-1-2-11-22(19)14-15-5-3-7-17(13-15)21-20(25)23-12-10-16-6-4-8-18(16)23/h3,5,7,13,16,18H,1-2,4,6,8-12,14H2,(H,21,25)/t16-,18-/m0/s1
InChIKeySIJWGDQHRAURGN-WMZOPIPTSA-N
MW341.45 g/mol
LogP3.61
Rot. Bonds3

About (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide

(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide (PubChem CID 99778301) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
PubChem CID99778301
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESO=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1
InChIInChI=1S/C20H27N3O2/c24-19-9-1-2-11-22(19)14-15-5-3-7-17(13-15)21-20(25)23-12-10-16-6-4-8-18(16)23/h3,5,7,13,16,18H,1-2,4,6,8-12,14H2,(H,21,25)/t16-,18-/m0/s1
InChIKeySIJWGDQHRAURGN-WMZOPIPTSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The IUPAC name of (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide (CID 99778301) is (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The canonical SMILES for (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is O=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1.
What is the InChIKey of (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The InChIKey is SIJWGDQHRAURGN-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-9-1-2-11-22(19)14-15-5-3-7-17(13-15)21-20(25)23-12-10-16-6-4-8-18(16)23/h3,5,7,13,16,18H,1-2,4,6,8-12,14H2,(H,21,25)/t16-,18-/m0/s1.
What are the key properties of (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is sourced from PubChem (CID 99778301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).