N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide

C21H33N3O — CID 154490639

IUPACN-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC(CC2CCCCC2)C1)c1ccc(N)cc1
InChIInChI=1S/C21H33N3O/c1-23(20-11-9-19(22)10-12-20)21(25)16-24-13-5-8-18(15-24)14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-16,22H2,1H3
InChIKeyACVCMUZHOXTZGO-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.91
Rot. Bonds5

About N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide

N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 154490639) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID154490639
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCC(CC2CCCCC2)C1)c1ccc(N)cc1
InChIInChI=1S/C21H33N3O/c1-23(20-11-9-19(22)10-12-20)21(25)16-24-13-5-8-18(15-24)14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-16,22H2,1H3
InChIKeyACVCMUZHOXTZGO-UHFFFAOYSA-N
XLogP3.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.91
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-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide (CID 154490639) is N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCCC(CC2CCCCC2)C1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is ACVCMUZHOXTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-23(20-11-9-19(22)10-12-20)21(25)16-24-13-5-8-18(15-24)14-17-6-3-2-4-7-17/h9-12,17-18H,2-8,13-16,22H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide?
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 343.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 154490639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).