tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate

C24H29N3O4 — CID 140891865

IUPACtert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-16-20-17-26(21(28)18-10-6-4-7-11-18)14-15-27(20)22(29)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,25,30)
InChIKeySUSBRYZCJLVHJN-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate

tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate (PubChem CID 140891865) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate
PubChem CID140891865
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nametert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-16-20-17-26(21(28)18-10-6-4-7-11-18)14-15-27(20)22(29)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,25,30)
InChIKeySUSBRYZCJLVHJN-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
CID 67231354
tert-butyl N-[3-oxo-3-[[1-(4-phenylbenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919215
tert-butyl N-[[(2R)-4-methyl-1-[3-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazin-2-yl]methyl]carbamate
CID 96538114
tert-butyl N-[[(2R)-1-[(2S)-2-benzylsulfanylpropanoyl]-4-methylpiperazin-2-yl]methyl]carbamate
CID 98775816
tert-butyl N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]methyl]carbamate
CID 47089866
(2S)-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]aziridin-1-yl]-3-phenylpropanoic acid
CID 18665279
benzyl (2S,4S)-4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 66600351
tert-butyl N-[[1-(5-bromonaphthalene-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 171396385
tert-butyl N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174609
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate
CID 56539223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate (CID 140891865) is tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate?
The InChIKey is SUSBRYZCJLVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-16-20-17-26(21(28)18-10-6-4-7-11-18)14-15-27(20)22(29)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,25,30).
What are the key properties of tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate?
tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate has a molecular weight of 423.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate is sourced from PubChem (CID 140891865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).