N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide

C14H23N5O — CID 71795070

IUPACN-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1cncnc1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H23N5O/c1-11-9-15-10-16-12(11)18-5-7-19(8-6-18)13(20)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyMFOOSDLLQMGDEX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds1

About N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 71795070) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID71795070
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1cncnc1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H23N5O/c1-11-9-15-10-16-12(11)18-5-7-19(8-6-18)13(20)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyMFOOSDLLQMGDEX-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 71795070) is N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1cncnc1N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is MFOOSDLLQMGDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-9-15-10-16-12(11)18-5-7-19(8-6-18)13(20)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).