4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride

C20H32Cl2N4O2 — CID 119890910

IUPAC4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
SMILESCN1CCCC(N(C)C(=O)c2ccc(NC(=O)C3(N)CCCC3)cc2)C1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-23-13-5-6-17(14-23)24(2)18(25)15-7-9-16(10-8-15)22-19(26)20(21)11-3-4-12-20;;/h7-10,17H,3-6,11-14,21H2,1-2H3,(H,22,26);2*1H
InChIKeyLTMQISFDIMMJNE-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.91
Rot. Bonds4

About 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride

4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride (PubChem CID 119890910) has the molecular formula C20H32Cl2N4O2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
PubChem CID119890910
Molecular FormulaC20H32Cl2N4O2
Molecular Weight431.41 g/mol
Exact Mass430.19
IUPAC Name4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
SMILESCN1CCCC(N(C)C(=O)c2ccc(NC(=O)C3(N)CCCC3)cc2)C1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-23-13-5-6-17(14-23)24(2)18(25)15-7-9-16(10-8-15)22-19(26)20(21)11-3-4-12-20;;/h7-10,17H,3-6,11-14,21H2,1-2H3,(H,22,26);2*1H
InChIKeyLTMQISFDIMMJNE-UHFFFAOYSA-N
XLogP2.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
2-amino-N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]benzamide;dihydrochloride
CID 119947295
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
4-(3-aminobutanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890933
N-[4-[methyl-[(3S)-1-methylpiperidin-3-yl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 95776471
4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 166417842
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 119890851
4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide
CID 60549246
N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206428
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride?
The IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride (CID 119890910) is 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride is CN1CCCC(N(C)C(=O)c2ccc(NC(=O)C3(N)CCCC3)cc2)C1.Cl.Cl.
What is the InChIKey of 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride?
The InChIKey is LTMQISFDIMMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.2ClH/c1-23-13-5-6-17(14-23)24(2)18(25)15-7-9-16(10-8-15)22-19(26)20(21)11-3-4-12-20;;/h7-10,17H,3-6,11-14,21H2,1-2H3,(H,22,26);2*1H.
What are the key properties of 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride?
4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119890910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).