4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide

C17H25ClN2O2 — CID 110356943

IUPAC4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)6-9-19-17(21)20-10-7-15(8-11-20)22-16-5-3-4-14(18)12-16/h3-5,12-13,15H,6-11H2,1-2H3,(H,19,21)
InChIKeyQVTLXWWLFJIIFI-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.94
Rot. Bonds5

About 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide

4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 110356943) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID110356943
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)6-9-19-17(21)20-10-7-15(8-11-20)22-16-5-3-4-14(18)12-16/h3-5,12-13,15H,6-11H2,1-2H3,(H,19,21)
InChIKeyQVTLXWWLFJIIFI-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide 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

1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 110611152
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705467
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
2-amino-1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120993629
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
CID 124851882
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
2-[3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977338

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide (CID 110356943) is 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is QVTLXWWLFJIIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)6-9-19-17(21)20-10-7-15(8-11-20)22-16-5-3-4-14(18)12-16/h3-5,12-13,15H,6-11H2,1-2H3,(H,19,21).
What are the key properties of 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide?
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 110356943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).