N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide

C19H27N5O — CID 56884659

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCCn1cnnc1CCNC(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C19H27N5O/c1-2-24-14-22-23-18(24)8-11-21-19(25)17-5-3-4-16(13-17)12-15-6-9-20-10-7-15/h3-5,13-15,20H,2,6-12H2,1H3,(H,21,25)
InChIKeyCIBCKFVMEZNHEJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide (PubChem CID 56884659) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
PubChem CID56884659
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCCn1cnnc1CCNC(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C19H27N5O/c1-2-24-14-22-23-18(24)8-11-21-19(25)17-5-3-4-16(13-17)12-15-6-9-20-10-7-15/h3-5,13-15,20H,2,6-12H2,1H3,(H,21,25)
InChIKeyCIBCKFVMEZNHEJ-UHFFFAOYSA-N
XLogP1.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711960
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46987909
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118775753
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56907316
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131905838
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
CID 84586418
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709502
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 56744729

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide (CID 56884659) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide is CCn1cnnc1CCNC(=O)c1cccc(CC2CCNCC2)c1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The InChIKey is CIBCKFVMEZNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-24-14-22-23-18(24)8-11-21-19(25)17-5-3-4-16(13-17)12-15-6-9-20-10-7-15/h3-5,13-15,20H,2,6-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 56884659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).