[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone

C19H21N5O — CID 12669213

IUPAC[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCn2nnc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N5O/c25-19(23-12-4-1-5-13-23)15-8-10-16(11-9-15)20-14-24-18-7-3-2-6-17(18)21-22-24/h2-3,6-11,20H,1,4-5,12-14H2
InChIKeyBIOVGISPZAQNIV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.13
Rot. Bonds4

About [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone

[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 12669213) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
PubChem CID12669213
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCn2nnc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N5O/c25-19(23-12-4-1-5-13-23)15-8-10-16(11-9-15)20-14-24-18-7-3-2-6-17(18)21-22-24/h2-3,6-11,20H,1,4-5,12-14H2
InChIKeyBIOVGISPZAQNIV-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
CID 55374047
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
CID 20549334
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-(benzotriazol-1-ylmethyl)-4-(pyridin-4-ylmethyl)aniline
CID 21233477
phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147

Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone (CID 12669213) is [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(NCn2nnc3ccccc32)cc1)N1CCCCC1.
What is the InChIKey of [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is BIOVGISPZAQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-12-4-1-5-13-23)15-8-10-16(11-9-15)20-14-24-18-7-3-2-6-17(18)21-22-24/h2-3,6-11,20H,1,4-5,12-14H2.
What are the key properties of [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone?
[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 12669213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).