N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide

C14H21N3O — CID 22569644

IUPACN-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
SMILESCN(C(=O)CN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16(13-7-5-12(15)6-8-13)14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11,15H2,1H3
InChIKeyBTHUVPGZNFZKAQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.72
Rot. Bonds3

About N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide

N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide (PubChem CID 22569644) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
PubChem CID22569644
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
SMILESCN(C(=O)CN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16(13-7-5-12(15)6-8-13)14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11,15H2,1H3
InChIKeyBTHUVPGZNFZKAQ-UHFFFAOYSA-N
XLogP1.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
(7aR)-2-[4-[methyl-(2-piperidin-1-ylacetyl)amino]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 173179680

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide (CID 22569644) is N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide is CN(C(=O)CN1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide?
The InChIKey is BTHUVPGZNFZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(13-7-5-12(15)6-8-13)14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide?
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 22569644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).