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

C12H21N5O — CID 55049438

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCn1cnnc1CNC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21N5O/c1-17-9-15-16-11(17)8-14-12(18)3-2-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,18)
InChIKeyMFYDORSIXNRPKE-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.21
Rot. Bonds5

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 55049438) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID55049438
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCn1cnnc1CNC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21N5O/c1-17-9-15-16-11(17)8-14-12(18)3-2-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,18)
InChIKeyMFYDORSIXNRPKE-UHFFFAOYSA-N
XLogP0.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide (CID 55049438) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide is Cn1cnnc1CNC(=O)CCC1CCNCC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is MFYDORSIXNRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17-9-15-16-11(17)8-14-12(18)3-2-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,18).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 55049438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).