(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H23N5O2 — CID 18714275

IUPAC(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2nnn(O)c2c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23N5O2/c23-17(13-4-5-15-16(12-13)22(24)19-18-15)21-10-6-14(7-11-21)20-8-2-1-3-9-20/h4-5,12,14,24H,1-3,6-11H2
InChIKeyTYKJQUCHUOBYIN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds2

About (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 18714275) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID18714275
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2nnn(O)c2c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23N5O2/c23-17(13-4-5-15-16(12-13)22(24)19-18-15)21-10-6-14(7-11-21)20-8-2-1-3-9-20/h4-5,12,14,24H,1-3,6-11H2
InChIKeyTYKJQUCHUOBYIN-UHFFFAOYSA-N
XLogP1.76
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
[3-chloro-4-(pyrimidin-2-ylamino)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 118731636

Frequently Asked Questions

What is the IUPAC name of (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 18714275) is (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc2nnn(O)c2c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is TYKJQUCHUOBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(13-4-5-15-16(12-13)22(24)19-18-15)21-10-6-14(7-11-21)20-8-2-1-3-9-20/h4-5,12,14,24H,1-3,6-11H2.
What are the key properties of (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxybenzotriazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 18714275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).