2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C19H27N5O — CID 56779983

IUPAC2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCn1cnnc1C1CCN(C(=O)CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-3-23-15-20-21-19(23)17-9-11-24(12-10-17)18(25)14-22(2)13-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyDSCDSQDIAGRTCD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.14
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 56779983) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID56779983
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCn1cnnc1C1CCN(C(=O)CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-3-23-15-20-21-19(23)17-9-11-24(12-10-17)18(25)14-22(2)13-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyDSCDSQDIAGRTCD-UHFFFAOYSA-N
XLogP2.14
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
CID 53192510
2-(5-ethyl-2-pyridinyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 138034450
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95338732
2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 136515167
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
CID 86936566
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-benzyl-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 126784113

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 56779983) is 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCn1cnnc1C1CCN(C(=O)CN(C)Cc2ccccc2)CC1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is DSCDSQDIAGRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-23-15-20-21-19(23)17-9-11-24(12-10-17)18(25)14-22(2)13-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56779983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).