N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide

C17H25N3O3 — CID 120985992

IUPACN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-12-5-3-4-6-14(12)16(21)19-13-7-9-20(10-8-13)17(22)15(18)11-23-2/h3-6,13,15H,7-11,18H2,1-2H3,(H,19,21)
InChIKeyQGOFCFBHSOBUPP-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.69
Rot. Bonds5

About N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide

N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 120985992) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID120985992
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H25N3O3/c1-12-5-3-4-6-14(12)16(21)19-13-7-9-20(10-8-13)17(22)15(18)11-23-2/h3-6,13,15H,7-11,18H2,1-2H3,(H,19,21)
InChIKeyQGOFCFBHSOBUPP-UHFFFAOYSA-N
XLogP0.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide (CID 120985992) is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide is COCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is QGOFCFBHSOBUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-5-3-4-6-14(12)16(21)19-13-7-9-20(10-8-13)17(22)15(18)11-23-2/h3-6,13,15H,7-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 120985992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).