4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide

C22H27N3O — CID 112825337

IUPAC4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H27N3O/c26-22(25-14-12-24(13-15-25)18-5-1-2-6-18)23-20-11-10-17-9-8-16-4-3-7-19(20)21(16)17/h3-4,7,10-11,18H,1-2,5-6,8-9,12-15H2,(H,23,26)
InChIKeyKTHQFPGGOUTWPB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.03
Rot. Bonds2

About 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide

4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide (PubChem CID 112825337) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
PubChem CID112825337
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H27N3O/c26-22(25-14-12-24(13-15-25)18-5-1-2-6-18)23-20-11-10-17-9-8-16-4-3-7-19(20)21(16)17/h3-4,7,10-11,18H,1-2,5-6,8-9,12-15H2,(H,23,26)
InChIKeyKTHQFPGGOUTWPB-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide (CID 112825337) is 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide?
The InChIKey is KTHQFPGGOUTWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(25-14-12-24(13-15-25)18-5-1-2-6-18)23-20-11-10-17-9-8-16-4-3-7-19(20)21(16)17/h3-4,7,10-11,18H,1-2,5-6,8-9,12-15H2,(H,23,26).
What are the key properties of 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide?
4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 112825337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).