[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone

C19H18ClN3O2 — CID 117073747

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-15-2-4-16(5-3-15)25-17-7-9-23(10-8-17)19(24)13-1-6-18-14(11-13)12-21-22-18/h1-6,11-12,17H,7-10H2,(H,21,22)
InChIKeyUKYNCSHWHBYSCX-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.90
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 117073747) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
PubChem CID117073747
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-15-2-4-16(5-3-15)25-17-7-9-23(10-8-17)19(24)13-1-6-18-14(11-13)12-21-22-18/h1-6,11-12,17H,7-10H2,(H,21,22)
InChIKeyUKYNCSHWHBYSCX-UHFFFAOYSA-N
XLogP3.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
2-amino-2-(4-chlorophenyl)-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]ethanone
CID 117073092
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone (CID 117073747) is [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone?
The InChIKey is UKYNCSHWHBYSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-2-4-16(5-3-15)25-17-7-9-23(10-8-17)19(24)13-1-6-18-14(11-13)12-21-22-18/h1-6,11-12,17H,7-10H2,(H,21,22).
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone has a molecular weight of 355.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 117073747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).