N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide

C17H25N3O2 — CID 119761681

IUPACN-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)Cc2ccc(N)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-2-4-16(21)19-15-5-3-10-20(12-15)17(22)11-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12,18H2,1H3,(H,19,21)
InChIKeyNVSKHHSHRGSPQI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.72
Rot. Bonds5

About N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide

N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide (PubChem CID 119761681) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
PubChem CID119761681
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)Cc2ccc(N)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-2-4-16(21)19-15-5-3-10-20(12-15)17(22)11-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12,18H2,1H3,(H,19,21)
InChIKeyNVSKHHSHRGSPQI-UHFFFAOYSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.72
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-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[(3R)-1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 95635726
N-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 56795097
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide (CID 119761681) is N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(C(=O)Cc2ccc(N)cc2)C1.
What is the InChIKey of N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide?
The InChIKey is NVSKHHSHRGSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-4-16(21)19-15-5-3-10-20(12-15)17(22)11-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12,18H2,1H3,(H,19,21).
What are the key properties of N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide?
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide has a molecular weight of 303.41 g/mol, XLogP of 1.72, 5 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-3-yl]butanamide is sourced from PubChem (CID 119761681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).