4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide

C18H37N5O — CID 167004574

IUPAC4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C18H37N5O/c1-17(2,3)22-12-8-20(9-13-22)7-6-18(4,5)23-14-10-21(11-15-23)16(19)24/h6-15H2,1-5H3,(H2,19,24)
InChIKeyFNWNPVUUPXRZNH-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.27
Rot. Bonds4

About 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide

4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide (PubChem CID 167004574) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
PubChem CID167004574
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C18H37N5O/c1-17(2,3)22-12-8-20(9-13-22)7-6-18(4,5)23-14-10-21(11-15-23)16(19)24/h6-15H2,1-5H3,(H2,19,24)
InChIKeyFNWNPVUUPXRZNH-UHFFFAOYSA-N
XLogP1.27
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 135299487
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
4-propylpiperazine-1-carboxamide
CID 16792615
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
4-nonylpiperazine-1-carboxamide
CID 13213299
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
CID 159012212
N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide
CID 174196545
1-tert-butyl-4-propylpiperazine
CID 58721754

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide (CID 167004574) is 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide is CC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide?
The InChIKey is FNWNPVUUPXRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-17(2,3)22-12-8-20(9-13-22)7-6-18(4,5)23-14-10-21(11-15-23)16(19)24/h6-15H2,1-5H3,(H2,19,24).
What are the key properties of 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide?
4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide has a molecular weight of 339.53 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 167004574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).