N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C19H27N5O — CID 38401293

IUPACN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CCn3cncn3)cc2)CC1
InChIInChI=1S/C19H27N5O/c1-16-6-9-23(10-7-16)13-18-4-2-17(3-5-18)12-21-19(25)8-11-24-15-20-14-22-24/h2-5,14-16H,6-13H2,1H3,(H,21,25)
InChIKeyZRQZGJORCMBFSE-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.22
Rot. Bonds7

About N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 38401293) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID38401293
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CCn3cncn3)cc2)CC1
InChIInChI=1S/C19H27N5O/c1-16-6-9-23(10-7-16)13-18-4-2-17(3-5-18)12-21-19(25)8-11-24-15-20-14-22-24/h2-5,14-16H,6-13H2,1H3,(H,21,25)
InChIKeyZRQZGJORCMBFSE-UHFFFAOYSA-N
XLogP2.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 38401293) is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is CC1CCN(Cc2ccc(CNC(=O)CCn3cncn3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ZRQZGJORCMBFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16-6-9-23(10-7-16)13-18-4-2-17(3-5-18)12-21-19(25)8-11-24-15-20-14-22-24/h2-5,14-16H,6-13H2,1H3,(H,21,25).
What are the key properties of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 38401293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).