2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide

C15H22ClN3O2 — CID 119891153

IUPAC2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
SMILESNCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17/h1-4,13H,5-11,17H2,(H,18,20)
InChIKeyDHRFVBQWQQHVSG-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide

2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide (PubChem CID 119891153) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
PubChem CID119891153
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
SMILESNCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17/h1-4,13H,5-11,17H2,(H,18,20)
InChIKeyDHRFVBQWQQHVSG-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119891161
trans-(1S,2S)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345733
cis-(1S,2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345732
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
CID 119891321
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide (CID 119891153) is 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide is NCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide?
The InChIKey is DHRFVBQWQQHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17/h1-4,13H,5-11,17H2,(H,18,20).
What are the key properties of 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide?
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 119891153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).