N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide

C16H25N3O2 — CID 82224747

IUPACN-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1OC)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-14(19-9-5-4-6-10-19)16(20)18-13-8-7-12(17)11-15(13)21-2/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyDFXQVFRMQNRGMY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide

N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide (PubChem CID 82224747) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide
PubChem CID82224747
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1OC)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-14(19-9-5-4-6-10-19)16(20)18-13-8-7-12(17)11-15(13)21-2/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyDFXQVFRMQNRGMY-UHFFFAOYSA-N
XLogP2.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
methyl 3-(azepan-1-yl)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 45136765
N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
CID 82224763
N-(4-amino-2-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66323873
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide (CID 82224747) is N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide is CCC(C(=O)Nc1ccc(N)cc1OC)N1CCCCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide?
The InChIKey is DFXQVFRMQNRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-14(19-9-5-4-6-10-19)16(20)18-13-8-7-12(17)11-15(13)21-2/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide?
N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 82224747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).