N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide

C16H25N3O2 — CID 43372575

IUPACN-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-21-15-8-11-19(12-9-15)10-2-3-16(20)18-14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyHXCRHJMOOKACAC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.10
Rot. Bonds6

About N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide

N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide (PubChem CID 43372575) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
PubChem CID43372575
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-21-15-8-11-19(12-9-15)10-2-3-16(20)18-14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyHXCRHJMOOKACAC-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
CID 30057783
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide (CID 43372575) is N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide is COC1CCN(CCCC(=O)Nc2ccc(N)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide?
The InChIKey is HXCRHJMOOKACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-15-8-11-19(12-9-15)10-2-3-16(20)18-14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide?
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide is sourced from PubChem (CID 43372575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).