cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate

C19H26N2O2 — CID 71801336

IUPACcyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
SMILESO=C(OC1CCCC1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-19(23-17-8-4-5-9-17)21-13-12-20(16-10-11-16)14-18(21)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyZLSAUTLPGFPTBO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.59
Rot. Bonds3

About cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate

cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate (PubChem CID 71801336) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
PubChem CID71801336
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
SMILESO=C(OC1CCCC1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-19(23-17-8-4-5-9-17)21-13-12-20(16-10-11-16)14-18(21)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyZLSAUTLPGFPTBO-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
CID 90566753
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 90566765
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 90566854
N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900
3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566646
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate?
The IUPAC name of cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate (CID 71801336) is cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate is O=C(OC1CCCC1)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate?
The InChIKey is ZLSAUTLPGFPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(23-17-8-4-5-9-17)21-13-12-20(16-10-11-16)14-18(21)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2.
What are the key properties of cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate?
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 71801336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).