4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide

C18H37N5O — CID 176629800

IUPAC4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N5O/c1-17(2,3)21-10-8-20(9-11-21)16(24)19(7)23-14-12-22(13-15-23)18(4,5)6/h8-15H2,1-7H3
InChIKeyNCCBTBVKZWEVMJ-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.79
Rot. Bonds1

About 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide

4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide (PubChem CID 176629800) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide
PubChem CID176629800
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N5O/c1-17(2,3)21-10-8-20(9-11-21)16(24)19(7)23-14-12-22(13-15-23)18(4,5)6/h8-15H2,1-7H3
InChIKeyNCCBTBVKZWEVMJ-UHFFFAOYSA-N
XLogP1.79
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2-bromo-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 107904948
1-(4-tert-butylpiperazin-1-yl)-2-chloroprop-2-en-1-one
CID 131015396
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
CID 113074849
2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064386
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide (CID 176629800) is 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide is CN(C(=O)N1CCN(C(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide?
The InChIKey is NCCBTBVKZWEVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-17(2,3)21-10-8-20(9-11-21)16(24)19(7)23-14-12-22(13-15-23)18(4,5)6/h8-15H2,1-7H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide?
4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide has a molecular weight of 339.53 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 176629800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).