4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide

C16H25N3O2 — CID 104782742

IUPAC4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)CN2CCCCC2)ccc1N
InChIInChI=1S/C16H25N3O2/c1-12(11-19-8-4-3-5-9-19)18-16(20)13-6-7-14(17)15(10-13)21-2/h6-7,10,12H,3-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyFYQGRBCNFLOWSM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds5

About 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide

4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 104782742) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID104782742
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)CN2CCCCC2)ccc1N
InChIInChI=1S/C16H25N3O2/c1-12(11-19-8-4-3-5-9-19)18-16(20)13-6-7-14(17)15(10-13)21-2/h6-7,10,12H,3-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyFYQGRBCNFLOWSM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

4-methoxy-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35121300
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide (CID 104782742) is 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)CN2CCCCC2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is FYQGRBCNFLOWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(11-19-8-4-3-5-9-19)18-16(20)13-6-7-14(17)15(10-13)21-2/h6-7,10,12H,3-5,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 104782742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).