cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate

C20H28N2O2 — CID 97040922

IUPACcyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate
SMILESO=C(OC1CCCC1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c23-20(24-19-8-4-5-9-19)22-13-12-21(17-10-11-17)15-18(22)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15H2/t18-/m0/s1
InChIKeyNDOYNSDAYKEDDU-SFHVURJKSA-N
MW328.46 g/mol
LogP3.46
Rot. Bonds4

About cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate

cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate (PubChem CID 97040922) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate
PubChem CID97040922
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Namecyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate
SMILESO=C(OC1CCCC1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c23-20(24-19-8-4-5-9-19)22-13-12-21(17-10-11-17)15-18(22)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15H2/t18-/m0/s1
InChIKeyNDOYNSDAYKEDDU-SFHVURJKSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate?
The IUPAC name of cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate (CID 97040922) is cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate.
What is the SMILES notation for cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate?
The canonical SMILES for cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate is O=C(OC1CCCC1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate?
The InChIKey is NDOYNSDAYKEDDU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(24-19-8-4-5-9-19)22-13-12-21(17-10-11-17)15-18(22)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15H2/t18-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate?
cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-benzyl-4-cyclopropylpiperazine-1-carboxylate is sourced from PubChem (CID 97040922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).