N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

C15H27N5O — CID 91844252

IUPACN-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1nc(C2CCCN(CCC(=O)NC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C15H27N5O/c1-11-16-14(19-18-11)12-6-5-8-20(10-12)9-7-13(21)17-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyMNWZZBBSNCABNV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.60
Rot. Bonds4

About N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 91844252) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
PubChem CID91844252
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1nc(C2CCCN(CCC(=O)NC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C15H27N5O/c1-11-16-14(19-18-11)12-6-5-8-20(10-12)9-7-13(21)17-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyMNWZZBBSNCABNV-UHFFFAOYSA-N
XLogP1.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (CID 91844252) is N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is Cc1nc(C2CCCN(CCC(=O)NC(C)(C)C)C2)n[nH]1.
What is the InChIKey of N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is MNWZZBBSNCABNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-16-14(19-18-11)12-6-5-8-20(10-12)9-7-13(21)17-15(2,3)4/h12H,5-10H2,1-4H3,(H,17,21)(H,16,18,19).
What are the key properties of N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 91844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).