N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

C16H32N4O — CID 71096317

IUPACN-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-16(2,3)17-15(21)20-12-10-19(11-13-20)14-6-8-18(4)9-7-14/h14H,5-13H2,1-4H3,(H,17,21)
InChIKeyPPDPHTUGTOWFIX-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.60
Rot. Bonds3

About N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 71096317) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID71096317
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-5-16(2,3)17-15(21)20-12-10-19(11-13-20)14-6-8-18(4)9-7-14/h14H,5-13H2,1-4H3,(H,17,21)
InChIKeyPPDPHTUGTOWFIX-UHFFFAOYSA-N
XLogP1.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (CID 71096317) is N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is CCC(C)(C)NC(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is PPDPHTUGTOWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-16(2,3)17-15(21)20-12-10-19(11-13-20)14-6-8-18(4)9-7-14/h14H,5-13H2,1-4H3,(H,17,21).
What are the key properties of N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71096317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).