4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide

C28H31N5O2 — CID 121115629

IUPAC4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C28H31N5O2/c1-2-32-26(30-33(28(32)35)20-21-9-4-3-5-10-21)23-15-17-31(18-16-23)27(34)29-19-24-13-8-12-22-11-6-7-14-25(22)24/h3-14,23H,2,15-20H2,1H3,(H,29,34)
InChIKeyMDVLPSWTJAIKCV-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.36
Rot. Bonds6

About 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide

4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 121115629) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
PubChem CID121115629
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C28H31N5O2/c1-2-32-26(30-33(28(32)35)20-21-9-4-3-5-10-21)23-15-17-31(18-16-23)27(34)29-19-24-13-8-12-22-11-6-7-14-25(22)24/h3-14,23H,2,15-20H2,1H3,(H,29,34)
InChIKeyMDVLPSWTJAIKCV-UHFFFAOYSA-N
XLogP4.36
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 121115636
2-benzyl-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121115397
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 121118372
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115060
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121115632
2-benzyl-4-ethyl-5-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115512
2-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121118255
2-benzyl-4-ethyl-5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115527
2-benzyl-4-ethyl-5-[1-(2-nitrobenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115451
2-benzyl-5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121115530
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile
CID 121118245
ethyl 2-[[2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]acetate
CID 121118349

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide (CID 121115629) is 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide is CCn1c(C2CCN(C(=O)NCc3cccc4ccccc34)CC2)nn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MDVLPSWTJAIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-2-32-26(30-33(28(32)35)20-21-9-4-3-5-10-21)23-15-17-31(18-16-23)27(34)29-19-24-13-8-12-22-11-6-7-14-25(22)24/h3-14,23H,2,15-20H2,1H3,(H,29,34).
What are the key properties of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide?
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121115629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).