2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide

C16H23ClN2O2 — CID 120597947

IUPAC2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-12-8-9-18-11(2)10-12/h4-7,11-12,14,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyCSXFRWJEKLQWLT-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide

2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide (PubChem CID 120597947) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
PubChem CID120597947
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-12-8-9-18-11(2)10-12/h4-7,11-12,14,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyCSXFRWJEKLQWLT-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide 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

cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 71863347
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide (CID 120597947) is 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide is CCC(Oc1ccccc1Cl)C(=O)NC1CCNC(C)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The InChIKey is CSXFRWJEKLQWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-12-8-9-18-11(2)10-12/h4-7,11-12,14,18H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide has a molecular weight of 310.82 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120597947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).