benzotriazol-1-yl(piperidin-1-yl)methanone

C12H14N4O — CID 735661

IUPACbenzotriazol-1-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16/h2-3,6-7H,1,4-5,8-9H2
InChIKeyFGYPMAAKTFWOMX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.89
Rot. Bonds

About benzotriazol-1-yl(piperidin-1-yl)methanone

benzotriazol-1-yl(piperidin-1-yl)methanone (PubChem CID 735661) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is benzotriazol-1-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(piperidin-1-yl)methanone
PubChem CID735661
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Namebenzotriazol-1-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16/h2-3,6-7H,1,4-5,8-9H2
InChIKeyFGYPMAAKTFWOMX-UHFFFAOYSA-N
XLogP1.89
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-morpholinomethyl)-1H-benzotriazole
CID 79626
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
1-(morpholine-4-carbonyl)-1H-1,2,3-benzotriazole
CID 735660
Benzotriazol-1-yl-(4-benzylpiperidin-1-yl)methanone
CID 17989764
Benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
CID 46831765
N-hexylbenzotriazole-1-carboxamide
CID 58271110
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
Benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
1-(Pyrrolidin-1-ylmethyl)benzotriazole
CID 29502
1-(Isocyanomethyl)-1H-benzotriazole
CID 3832111

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(piperidin-1-yl)methanone?
The IUPAC name of benzotriazol-1-yl(piperidin-1-yl)methanone (CID 735661) is benzotriazol-1-yl(piperidin-1-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl(piperidin-1-yl)methanone?
The canonical SMILES for benzotriazol-1-yl(piperidin-1-yl)methanone is O=C(N1CCCCC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(piperidin-1-yl)methanone?
The InChIKey is FGYPMAAKTFWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(15-8-4-1-5-9-15)16-11-7-3-2-6-10(11)13-14-16/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of benzotriazol-1-yl(piperidin-1-yl)methanone?
benzotriazol-1-yl(piperidin-1-yl)methanone has a molecular weight of 230.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 735661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).