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

C25H35N3O — CID 44560385

IUPAC(3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NC1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C25H35N3O/c29-25(26-22-5-1-2-6-22)28-17-21-11-12-23(24(21)18-28)20-9-7-19(8-10-20)13-16-27-14-3-4-15-27/h7-10,12,21-22,24H,1-6,11,13-18H2,(H,26,29)/t21-,24+/m0/s1
InChIKeyCWGBGDPQPQTQBG-XUZZJYLKSA-N
MW393.58 g/mol
LogP4.31
Rot. Bonds5

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

(3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 44560385) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is (3aR,6aR)-N-cyclopentyl-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-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID44560385
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name(3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NC1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C25H35N3O/c29-25(26-22-5-1-2-6-22)28-17-21-11-12-23(24(21)18-28)20-9-7-19(8-10-20)13-16-27-14-3-4-15-27/h7-10,12,21-22,24H,1-6,11,13-18H2,(H,26,29)/t21-,24+/m0/s1
InChIKeyCWGBGDPQPQTQBG-XUZZJYLKSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 44560385) is (3aR,6aR)-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(NC1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1.
What is the InChIKey of (3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is CWGBGDPQPQTQBG-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H35N3O/c29-25(26-22-5-1-2-6-22)28-17-21-11-12-23(24(21)18-28)20-9-7-19(8-10-20)13-16-27-14-3-4-15-27/h7-10,12,21-22,24H,1-6,11,13-18H2,(H,26,29)/t21-,24+/m0/s1.
What are the key properties of (3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 393.58 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-cyclopentyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 44560385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).