2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide

C13H18ClN3O — CID 54989164

IUPAC2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C13H18ClN3O/c14-10-1-2-12(11(15)8-10)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9H,3-7,15H2,(H2,16,18)
InChIKeyAAHCUPZLQVZXEL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide

2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide (PubChem CID 54989164) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
PubChem CID54989164
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C13H18ClN3O/c14-10-1-2-12(11(15)8-10)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9H,3-7,15H2,(H2,16,18)
InChIKeyAAHCUPZLQVZXEL-UHFFFAOYSA-N
XLogP2.01
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-amino-4-nitrophenyl)piperidin-4-yl]acetamide
CID 62506641
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
2-[1-(2-amino-4-chlorophenyl)pyrrolidin-3-yl]ethylcarbamic acid
CID 66666792
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
CID 54989374
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
CID 62912486
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
CID 106747519
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
ethyl 2-[1-[4-chloro-2-(dihydroxyamino)phenyl]piperidin-4-yl]acetate
CID 88929305
2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide (CID 54989164) is 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ccc(Cl)cc2N)CC1.
What is the InChIKey of 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide?
The InChIKey is AAHCUPZLQVZXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-1-2-12(11(15)8-10)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9H,3-7,15H2,(H2,16,18).
What are the key properties of 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide?
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54989164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).