(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone

C19H19ClN2O5 — CID 11646803

IUPAC(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)c1
InChIInChI=1S/C19H19ClN2O5/c1-27-15-5-2-4-14(11-15)19(24)8-3-9-21(12-19)18(23)13-6-7-16(20)17(10-13)22(25)26/h2,4-7,10-11,24H,3,8-9,12H2,1H3
InChIKeyHZNZCGQCVJAHJI-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.38
Rot. Bonds4

About (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone

(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 11646803) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID11646803
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)c1
InChIInChI=1S/C19H19ClN2O5/c1-27-15-5-2-4-14(11-15)19(24)8-3-9-21(12-19)18(23)13-6-7-16(20)17(10-13)22(25)26/h2,4-7,10-11,24H,3,8-9,12H2,1H3
InChIKeyHZNZCGQCVJAHJI-UHFFFAOYSA-N
XLogP3.38
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
CID 115874362
(3-chloro-4-nitrophenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 82780227
(4-chloro-3-nitrophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26203926
(4-chloro-3-nitrophenyl)-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 42778654
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866
S-tert-butyl 4-hydroxy-4-(3-methoxyphenyl)azepane-1-carbothioate
CID 144525750
(4-amino-3-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574291
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253
(4-fluorophenyl)-[3-hydroxy-3-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 11609363
(4-chloro-3-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1346504
(4-chloro-3-nitrophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608463

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 11646803) is (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)c1.
What is the InChIKey of (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is HZNZCGQCVJAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-27-15-5-2-4-14(11-15)19(24)8-3-9-21(12-19)18(23)13-6-7-16(20)17(10-13)22(25)26/h2,4-7,10-11,24H,3,8-9,12H2,1H3.
What are the key properties of (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone?
(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 390.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 11646803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).