N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

C14H23N5O — CID 118789579

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(CC2CC2)CC1
InChIInChI=1S/C14H23N5O/c1-10-13(17-18-16-10)14(20)15-8-11-4-6-19(7-5-11)9-12-2-3-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyAOCSHAJHCWYYOV-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds5

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 118789579) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID118789579
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC1CCN(CC2CC2)CC1
InChIInChI=1S/C14H23N5O/c1-10-13(17-18-16-10)14(20)15-8-11-4-6-19(7-5-11)9-12-2-3-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyAOCSHAJHCWYYOV-UHFFFAOYSA-N
XLogP0.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (CID 118789579) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCC1CCN(CC2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is AOCSHAJHCWYYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-13(17-18-16-10)14(20)15-8-11-4-6-19(7-5-11)9-12-2-3-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 118789579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).