2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C18H35N3 — CID 167417230

IUPAC2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CCN(CC2CC3CN(C(C)C)CC3C2)CC1
InChIInChI=1S/C18H35N3/c1-14(2)20-7-5-19(6-8-20)11-16-9-17-12-21(15(3)4)13-18(17)10-16/h14-18H,5-13H2,1-4H3
InChIKeyQZSDLYYNFULMQH-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.38
Rot. Bonds4

About 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 167417230) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID167417230
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CCN(CC2CC3CN(C(C)C)CC3C2)CC1
InChIInChI=1S/C18H35N3/c1-14(2)20-7-5-19(6-8-20)11-16-9-17-12-21(15(3)4)13-18(17)10-16/h14-18H,5-13H2,1-4H3
InChIKeyQZSDLYYNFULMQH-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 167417230) is 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC(C)N1CCN(CC2CC3CN(C(C)C)CC3C2)CC1.
What is the InChIKey of 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is QZSDLYYNFULMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-14(2)20-7-5-19(6-8-20)11-16-9-17-12-21(15(3)4)13-18(17)10-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 293.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 167417230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).