(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

C15H26N6O2 — CID 94796955

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(n2cncn2)CC1
InChIInChI=1S/C15H26N6O2/c1-11(13(22)18-14(23)19-15(2,3)4)20-7-5-12(6-8-20)21-10-16-9-17-21/h9-12H,5-8H2,1-4H3,(H2,18,19,22,23)/t11-/m1/s1
InChIKeyRXZVPISHIREZIU-LLVKDONJSA-N
MW322.41 g/mol
LogP0.93
Rot. Bonds3

About (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 94796955) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
PubChem CID94796955
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(n2cncn2)CC1
InChIInChI=1S/C15H26N6O2/c1-11(13(22)18-14(23)19-15(2,3)4)20-7-5-12(6-8-20)21-10-16-9-17-21/h9-12H,5-8H2,1-4H3,(H2,18,19,22,23)/t11-/m1/s1
InChIKeyRXZVPISHIREZIU-LLVKDONJSA-N
XLogP0.93
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide (CID 94796955) is (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide is C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(n2cncn2)CC1.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The InChIKey is RXZVPISHIREZIU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-11(13(22)18-14(23)19-15(2,3)4)20-7-5-12(6-8-20)21-10-16-9-17-21/h9-12H,5-8H2,1-4H3,(H2,18,19,22,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 94796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).