4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide

C16H32N4O2 — CID 58055832

IUPAC4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-15(2,3)18-13(21)7-8-17-14(22)19-9-11-20(12-10-19)16(4,5)6/h7-12H2,1-6H3,(H,17,22)(H,18,21)
InChIKeyZBGNPUTYSIWGCE-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.42
Rot. Bonds3

About 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide

4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide (PubChem CID 58055832) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide
PubChem CID58055832
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-15(2,3)18-13(21)7-8-17-14(22)19-9-11-20(12-10-19)16(4,5)6/h7-12H2,1-6H3,(H,17,22)(H,18,21)
InChIKeyZBGNPUTYSIWGCE-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide 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

Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-ethyl-
CID 3043227
2-Methylpiperazin-diformamid
CID 129889608
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide
CID 71860689
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 79805220
N,2,2-trimethyl-3-oxopiperazine-1-carboxamide
CID 53017583
N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017584
2,2-Dimethyl-3-oxo-N-(propan-2-YL)piperazine-1-carboxamide
CID 53017585
N-(Butan-2-YL)-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017586
N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide
CID 138809805
1-Ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
CID 10868023
1-Ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione
CID 11053374

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide (CID 58055832) is 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide?
The InChIKey is ZBGNPUTYSIWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-15(2,3)18-13(21)7-8-17-14(22)19-9-11-20(12-10-19)16(4,5)6/h7-12H2,1-6H3,(H,17,22)(H,18,21).
What are the key properties of 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide?
4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide is sourced from PubChem (CID 58055832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).