4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

C18H28N4O2 — CID 119890933

IUPAC4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCC(N)CC(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C18H28N4O2/c1-13(19)11-17(23)20-15-8-6-14(7-9-15)18(24)22(3)16-5-4-10-21(2)12-16/h6-9,13,16H,4-5,10-12,19H2,1-3H3,(H,20,23)
InChIKeyUWIFZKWAJUYURK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.53
Rot. Bonds5

About 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 119890933) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID119890933
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCC(N)CC(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C18H28N4O2/c1-13(19)11-17(23)20-15-8-6-14(7-9-15)18(24)22(3)16-5-4-10-21(2)12-16/h6-9,13,16H,4-5,10-12,19H2,1-3H3,(H,20,23)
InChIKeyUWIFZKWAJUYURK-UHFFFAOYSA-N
XLogP1.53
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 119890910
4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 166417842
2-amino-N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]benzamide;dihydrochloride
CID 119947295
N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 95776471
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 61259425
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 119890933) is 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CC(N)CC(=O)Nc1ccc(C(=O)N(C)C2CCCN(C)C2)cc1.
What is the InChIKey of 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is UWIFZKWAJUYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(19)11-17(23)20-15-8-6-14(7-9-15)18(24)22(3)16-5-4-10-21(2)12-16/h6-9,13,16H,4-5,10-12,19H2,1-3H3,(H,20,23).
What are the key properties of 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 119890933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).