(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C15H20N4O2 — CID 60958042

IUPAC(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCC(CO)CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-2-19-14-4-3-12(9-13(14)16-17-19)15(21)18-7-5-11(10-20)6-8-18/h3-4,9,11,20H,2,5-8,10H2,1H3
InChIKeyDUCMQCXLFYYNBE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds3

About (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 60958042) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID60958042
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCC(CO)CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-2-19-14-4-3-12(9-13(14)16-17-19)15(21)18-7-5-11(10-20)6-8-18/h3-4,9,11,20H,2,5-8,10H2,1H3
InChIKeyDUCMQCXLFYYNBE-UHFFFAOYSA-N
XLogP1.30
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
[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-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885
ethyl (3R)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate
CID 31463500
(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380
(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340797
(1-ethylbenzotriazol-5-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340794

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 60958042) is (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is CCn1nnc2cc(C(=O)N3CCC(CO)CC3)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DUCMQCXLFYYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-14-4-3-12(9-13(14)16-17-19)15(21)18-7-5-11(10-20)6-8-18/h3-4,9,11,20H,2,5-8,10H2,1H3.
What are the key properties of (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60958042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).