N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide

C17H23N3O2 — CID 119702473

IUPACN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c18-14-5-1-12(2-6-14)11-16(21)20-9-7-15(8-10-20)19-17(22)13-3-4-13/h1-2,5-6,13,15H,3-4,7-11,18H2,(H,19,22)
InChIKeyRLAWCARWSXOMNF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.33
Rot. Bonds4

About N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 119702473) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID119702473
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c18-14-5-1-12(2-6-14)11-16(21)20-9-7-15(8-10-20)19-17(22)13-3-4-13/h1-2,5-6,13,15H,3-4,7-11,18H2,(H,19,22)
InChIKeyRLAWCARWSXOMNF-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
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-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443319
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
CID 60964094
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide (CID 119702473) is N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide is Nc1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is RLAWCARWSXOMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-14-5-1-12(2-6-14)11-16(21)20-9-7-15(8-10-20)19-17(22)13-3-4-13/h1-2,5-6,13,15H,3-4,7-11,18H2,(H,19,22).
What are the key properties of N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 119702473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).