N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C19H32N4O2 — CID 86778937

IUPACN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC2CCCC2C1
InChIInChI=1S/C19H32N4O2/c24-18(15-3-1-4-15)22-11-9-21(10-12-22)8-7-20-19(25)23-13-16-5-2-6-17(16)14-23/h15-17H,1-14H2,(H,20,25)
InChIKeyJSMAUZBBFNZLEJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.37
Rot. Bonds4

About N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 86778937) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID86778937
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC2CCCC2C1
InChIInChI=1S/C19H32N4O2/c24-18(15-3-1-4-15)22-11-9-21(10-12-22)8-7-20-19(25)23-13-16-5-2-6-17(16)14-23/h15-17H,1-14H2,(H,20,25)
InChIKeyJSMAUZBBFNZLEJ-UHFFFAOYSA-N
XLogP1.37
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 86778937) is N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC2CCCC2C1.
What is the InChIKey of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is JSMAUZBBFNZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c24-18(15-3-1-4-15)22-11-9-21(10-12-22)8-7-20-19(25)23-13-16-5-2-6-17(16)14-23/h15-17H,1-14H2,(H,20,25).
What are the key properties of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 86778937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).