(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide

C20H36N4O2 — CID 97439454

IUPAC(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide
SMILESCCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1
InChIInChI=1S/C20H36N4O2/c1-6-23-13-16-19(7-8-20(16,14-23)17(25)22(4)5)9-11-24(12-10-19)18(26)21-15(2)3/h15-16H,6-14H2,1-5H3,(H,21,26)/t16-,20+/m0/s1
InChIKeyFTIIFMIANPENFH-OXJNMPFZSA-N
MW364.53 g/mol
LogP2.01
Rot. Bonds3

About (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide

(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide (PubChem CID 97439454) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide.

Molecular Properties

Compound Name(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide
PubChem CID97439454
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide
SMILESCCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1
InChIInChI=1S/C20H36N4O2/c1-6-23-13-16-19(7-8-20(16,14-23)17(25)22(4)5)9-11-24(12-10-19)18(26)21-15(2)3/h15-16H,6-14H2,1-5H3,(H,21,26)/t16-,20+/m0/s1
InChIKeyFTIIFMIANPENFH-OXJNMPFZSA-N
XLogP2.01
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide?
The IUPAC name of (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide (CID 97439454) is (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide.
What is the SMILES notation for (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide?
The canonical SMILES for (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide is CCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1.
What is the InChIKey of (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide?
The InChIKey is FTIIFMIANPENFH-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-6-23-13-16-19(7-8-20(16,14-23)17(25)22(4)5)9-11-24(12-10-19)18(26)21-15(2)3/h15-16H,6-14H2,1-5H3,(H,21,26)/t16-,20+/m0/s1.
What are the key properties of (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide?
(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide has a molecular weight of 364.53 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide is sourced from PubChem (CID 97439454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).