2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride

C15H22Cl2N2O2 — CID 119389291

IUPAC2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-11-7-9-17-10-8-11;/h3-6,11,13,17H,2,7-10H2,1H3,(H,18,19);1H
InChIKeyLGSDXBGBBNENRU-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.79
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride

2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119389291) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119389291
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-11-7-9-17-10-8-11;/h3-6,11,13,17H,2,7-10H2,1H3,(H,18,19);1H
InChIKeyLGSDXBGBBNENRU-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120597947
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 71863347
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride (CID 119389291) is 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride is CCC(Oc1ccccc1Cl)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is LGSDXBGBBNENRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-11-7-9-17-10-8-11;/h3-6,11,13,17H,2,7-10H2,1H3,(H,18,19);1H.
What are the key properties of 2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride?
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.79, 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-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119389291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).