(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate

C25H35N3O2 — CID 10476627

IUPAC(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C25H35N3O2/c1-3-10-21(2)26-25(29)30-20-24-19-27(17-22-11-6-4-7-12-22)15-16-28(24)18-23-13-8-5-9-14-23/h4-9,11-14,21,24H,3,10,15-20H2,1-2H3,(H,26,29)
InChIKeyKWTRDIREWHFRLL-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.29
Rot. Bonds9

About (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate

(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate (PubChem CID 10476627) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate.

Molecular Properties

Compound Name(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
PubChem CID10476627
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C25H35N3O2/c1-3-10-21(2)26-25(29)30-20-24-19-27(17-22-11-6-4-7-12-22)15-16-28(24)18-23-13-8-5-9-14-23/h4-9,11-14,21,24H,3,10,15-20H2,1-2H3,(H,26,29)
InChIKeyKWTRDIREWHFRLL-UHFFFAOYSA-N
XLogP4.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,4-dibenzylpiperazin-2-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 10255609
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
CID 58007099
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
CID 69186002
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688

Frequently Asked Questions

What is the IUPAC name of (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate?
The IUPAC name of (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate (CID 10476627) is (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate.
What is the SMILES notation for (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate?
The canonical SMILES for (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate is CCCC(C)NC(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate?
The InChIKey is KWTRDIREWHFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-3-10-21(2)26-25(29)30-20-24-19-27(17-22-11-6-4-7-12-22)15-16-28(24)18-23-13-8-5-9-14-23/h4-9,11-14,21,24H,3,10,15-20H2,1-2H3,(H,26,29).
What are the key properties of (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate?
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate has a molecular weight of 409.57 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate is sourced from PubChem (CID 10476627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).