3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide

C16H25N3O2 — CID 119884246

IUPAC3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
SMILESCOc1cccc(N2CCCC(NC(=O)CC(C)N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17)9-16(20)18-13-5-4-8-19(11-13)14-6-3-7-15(10-14)21-2/h3,6-7,10,12-13H,4-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyQVKHTXJKOCXHTF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide

3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide (PubChem CID 119884246) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
PubChem CID119884246
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
SMILESCOc1cccc(N2CCCC(NC(=O)CC(C)N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17)9-16(20)18-13-5-4-8-19(11-13)14-6-3-7-15(10-14)21-2/h3,6-7,10,12-13H,4-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyQVKHTXJKOCXHTF-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide (CID 119884246) is 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide is COc1cccc(N2CCCC(NC(=O)CC(C)N)C2)c1.
What is the InChIKey of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The InChIKey is QVKHTXJKOCXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(17)9-16(20)18-13-5-4-8-19(11-13)14-6-3-7-15(10-14)21-2/h3,6-7,10,12-13H,4-5,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 119884246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).