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

C13H23N5O — CID 64518835

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
SMILESCc1nc(CN(C)C(=O)CCC2CCCCN2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-10-15-12(17-16-10)9-18(2)13(19)7-6-11-5-3-4-8-14-11/h11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyFGEDUCCDHNAAKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.99
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide (PubChem CID 64518835) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
PubChem CID64518835
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
SMILESCc1nc(CN(C)C(=O)CCC2CCCCN2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-10-15-12(17-16-10)9-18(2)13(19)7-6-11-5-3-4-8-14-11/h11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyFGEDUCCDHNAAKX-UHFFFAOYSA-N
XLogP0.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide (CID 64518835) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide is Cc1nc(CN(C)C(=O)CCC2CCCCN2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide?
The InChIKey is FGEDUCCDHNAAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-15-12(17-16-10)9-18(2)13(19)7-6-11-5-3-4-8-14-11/h11,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 64518835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).