4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide

C16H24N4O3 — CID 120988656

IUPAC4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCC(N)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N4O3/c1-12-4-3-5-13(10-12)18-16(22)20-8-6-19(7-9-20)15(21)14(17)11-23-2/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,22)
InChIKeyIOSIIPBSQXSXFM-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.64
Rot. Bonds4

About 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 120988656) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID120988656
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCC(N)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N4O3/c1-12-4-3-5-13(10-12)18-16(22)20-8-6-19(7-9-20)15(21)14(17)11-23-2/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,22)
InChIKeyIOSIIPBSQXSXFM-UHFFFAOYSA-N
XLogP0.64
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-(1-amino-1-sulfanylidenepropan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 63343703
cis-methyl (1R,2S)-2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 125129936
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
4-(2-amino-2-hydroxyiminoethyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 77011865
2-(2-methoxyethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472859
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 120988656) is 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide is COCC(N)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is IOSIIPBSQXSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-4-3-5-13(10-12)18-16(22)20-8-6-19(7-9-20)15(21)14(17)11-23-2/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,22).
What are the key properties of 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methoxypropanoyl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 120988656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).