(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C23H33N3O — CID 44560384

IUPAC(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C23H33N3O/c1-17(2)24-23(27)26-15-20-9-10-21(22(20)16-26)19-7-5-18(6-8-19)11-14-25-12-3-4-13-25/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3,(H,24,27)/t20-,22+/m0/s1
InChIKeyCCBGUQREWCXYKL-RBBKRZOGSA-N
MW367.54 g/mol
LogP3.78
Rot. Bonds5

About (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 44560384) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID44560384
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C23H33N3O/c1-17(2)24-23(27)26-15-20-9-10-21(22(20)16-26)19-7-5-18(6-8-19)11-14-25-12-3-4-13-25/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3,(H,24,27)/t20-,22+/m0/s1
InChIKeyCCBGUQREWCXYKL-RBBKRZOGSA-N
XLogP3.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 44560384) is (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC(C)NC(=O)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1.
What is the InChIKey of (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is CCBGUQREWCXYKL-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(2)24-23(27)26-15-20-9-10-21(22(20)16-26)19-7-5-18(6-8-19)11-14-25-12-3-4-13-25/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3,(H,24,27)/t20-,22+/m0/s1.
What are the key properties of (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 44560384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).