(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate

C24H31N3O2 — CID 143935485

IUPAC(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESNC1CCCC1OC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c25-21-12-7-13-23(21)29-24(28)27-16-14-26(15-17-27)22(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,21-23H,7,12-18,25H2/t21?,22-,23?/m0/s1
InChIKeyQVYUFWGEHBWMRC-KOENEWCDSA-N
MW393.53 g/mol
LogP3.60
Rot. Bonds5

About (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate

(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate (PubChem CID 143935485) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
PubChem CID143935485
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESNC1CCCC1OC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c25-21-12-7-13-23(21)29-24(28)27-16-14-26(15-17-27)22(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,21-23H,7,12-18,25H2/t21?,22-,23?/m0/s1
InChIKeyQVYUFWGEHBWMRC-KOENEWCDSA-N
XLogP3.60
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The IUPAC name of (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate (CID 143935485) is (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The canonical SMILES for (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate is NC1CCCC1OC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The InChIKey is QVYUFWGEHBWMRC-KOENEWCDSA-N. The full InChI is InChI=1S/C24H31N3O2/c25-21-12-7-13-23(21)29-24(28)27-16-14-26(15-17-27)22(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,21-23H,7,12-18,25H2/t21?,22-,23?/m0/s1.
What are the key properties of (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate has a molecular weight of 393.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 143935485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).