tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate

C18H28N4O3 — CID 22285081

IUPACtert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)25-17(24)21-13-15-6-4-14(5-7-15)12-20-16(23)22-10-8-19-9-11-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQMDCUYWAUHJHIT-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.83
Rot. Bonds4

About tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate (PubChem CID 22285081) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
PubChem CID22285081
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCNCC2)cc1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)25-17(24)21-13-15-6-4-14(5-7-15)12-20-16(23)22-10-8-19-9-11-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQMDCUYWAUHJHIT-UHFFFAOYSA-N
XLogP1.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]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-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxamide
CID 166237784
N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
CID 134452395
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
benzyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 22229204
tert-butyl N-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate (CID 22285081) is tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCNCC2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is QMDCUYWAUHJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2,3)25-17(24)21-13-15-6-4-14(5-7-15)12-20-16(23)22-10-8-19-9-11-22/h4-7,19H,8-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 22285081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).