N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide

C13H18ClN3O — CID 16793337

IUPACN-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,15H2,(H,16,18)
InChIKeyQVQLAVPWBDYRCF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.35
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide

N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide (PubChem CID 16793337) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
PubChem CID16793337
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,15H2,(H,16,18)
InChIKeyQVQLAVPWBDYRCF-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 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 ≤ 52.35
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

N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 63013345
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide (CID 16793337) is N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide is Nc1ccc(Cl)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is QVQLAVPWBDYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,15H2,(H,16,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide?
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 267.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 16793337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).