(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone

C17H16ClN5O2 — CID 78154827

IUPAC(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILES[N-]=[N+]=Nc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H16ClN5O2/c18-14-4-2-13(3-5-14)17(25)7-9-23(10-8-17)16(24)12-1-6-15(20-11-12)21-22-19/h1-6,11,25H,7-10H2
InChIKeyXBPMGTYDTQYJGS-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.80
Rot. Bonds3

About (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone

(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 78154827) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID78154827
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILES[N-]=[N+]=Nc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H16ClN5O2/c18-14-4-2-13(3-5-14)17(25)7-9-23(10-8-17)16(24)12-1-6-15(20-11-12)21-22-19/h1-6,11,25H,7-10H2
InChIKeyXBPMGTYDTQYJGS-UHFFFAOYSA-N
XLogP3.80
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone
CID 91901458
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 166282515
(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 851820
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
6-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52900694
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 51053358
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone
CID 56742059
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046

Frequently Asked Questions

What is the IUPAC name of (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 78154827) is (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone is [N-]=[N+]=Nc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is XBPMGTYDTQYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-14-4-2-13(3-5-14)17(25)7-9-23(10-8-17)16(24)12-1-6-15(20-11-12)21-22-19/h1-6,11,25H,7-10H2.
What are the key properties of (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 357.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 78154827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).