(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone

C15H20N4O — CID 18105296

IUPAC(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1nnc2cc(C(=O)N3CCCC(C)C3)ccc21
InChIInChI=1S/C15H20N4O/c1-3-19-14-7-6-12(9-13(14)16-17-19)15(20)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyJJWRTZSWLVASTE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds2

About (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone

(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 18105296) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID18105296
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1nnc2cc(C(=O)N3CCCC(C)C3)ccc21
InChIInChI=1S/C15H20N4O/c1-3-19-14-7-6-12(9-13(14)16-17-19)15(20)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyJJWRTZSWLVASTE-UHFFFAOYSA-N
XLogP2.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340797
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(1-ethylbenzotriazol-5-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340794
[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)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 18105296) is (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone is CCn1nnc2cc(C(=O)N3CCCC(C)C3)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JJWRTZSWLVASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19-14-7-6-12(9-13(14)16-17-19)15(20)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18105296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).