methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate

C16H20N4O3 — CID 4785627

IUPACmethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCn1nnc2cc(C(=O)N3CCC(C(=O)OC)CC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-14-5-4-12(10-13(14)17-18-20)15(21)19-8-6-11(7-9-19)16(22)23-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyCVFPIYPRLOVCNQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.48
Rot. Bonds3

About methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate

methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 4785627) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID4785627
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCn1nnc2cc(C(=O)N3CCC(C(=O)OC)CC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-14-5-4-12(10-13(14)17-18-20)15(21)19-8-6-11(7-9-19)16(22)23-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyCVFPIYPRLOVCNQ-UHFFFAOYSA-N
XLogP1.48
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
ethyl (3R)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate
CID 31463500
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
(1-ethylbenzotriazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 38005043
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
(1-ethylbenzotriazol-5-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340794
(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340797
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885
(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate (CID 4785627) is methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate is CCn1nnc2cc(C(=O)N3CCC(C(=O)OC)CC3)ccc21.
What is the InChIKey of methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is CVFPIYPRLOVCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-20-14-5-4-12(10-13(14)17-18-20)15(21)19-8-6-11(7-9-19)16(22)23-2/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate?
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4785627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).