(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone

C17H20ClN3O2 — CID 91660246

IUPAC(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccccc1
InChIInChI=1S/C17H20ClN3O2/c1-23-16(13-5-3-2-4-6-13)17(22)20-9-7-15(8-10-20)21-12-14(18)11-19-21/h2-6,11-12,15-16H,7-10H2,1H3/t16-/m1/s1
InChIKeySVQYOSMTJOBESC-MRXNPFEDSA-N
MW333.82 g/mol
LogP3.09
Rot. Bonds4

About (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone

(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 91660246) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID91660246
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccccc1
InChIInChI=1S/C17H20ClN3O2/c1-23-16(13-5-3-2-4-6-13)17(22)20-9-7-15(8-10-20)21-12-14(18)11-19-21/h2-6,11-12,15-16H,7-10H2,1H3/t16-/m1/s1
InChIKeySVQYOSMTJOBESC-MRXNPFEDSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone (CID 91660246) is (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone is CO[C@@H](C(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is SVQYOSMTJOBESC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-16(13-5-3-2-4-6-13)17(22)20-9-7-15(8-10-20)21-12-14(18)11-19-21/h2-6,11-12,15-16H,7-10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 333.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 91660246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).