(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate

C18H18ClNO4 — CID 51870501

IUPAC(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESCc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H18ClNO4/c1-12-9-15(19)4-5-16(12)24-18(22)13-3-2-7-20(10-13)17(21)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m1/s1
InChIKeyAAGSMQAPRAAYIX-CYBMUJFWSA-N
MW347.80 g/mol
LogP3.70
Rot. Bonds3

About (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate

(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate (PubChem CID 51870501) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
PubChem CID51870501
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
SMILESCc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H18ClNO4/c1-12-9-15(19)4-5-16(12)24-18(22)13-3-2-7-20(10-13)17(21)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m1/s1
InChIKeyAAGSMQAPRAAYIX-CYBMUJFWSA-N
XLogP3.70
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate 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-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 43054836
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(4-chloro-2-methylphenyl) cyclobutanecarboxylate
CID 78768517
(4-chloro-2-methylphenyl) 1-methylsulfonylpiperidine-3-carboxylate
CID 134042885
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
CID 43056968
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 30839694
N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 46588687
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate (CID 51870501) is (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate is Cc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is AAGSMQAPRAAYIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-9-15(19)4-5-16(12)24-18(22)13-3-2-7-20(10-13)17(21)14-6-8-23-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m1/s1.
What are the key properties of (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate?
(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 347.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 51870501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).