3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide

C24H38N4O3 — CID 69142972

IUPAC3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC(C3CCN(C)CC3)CC2)C(C)C)cc1N
InChIInChI=1S/C24H38N4O3/c1-16(2)22(26-23(29)19-5-6-21(31-4)20(25)15-19)24(30)28-13-9-18(10-14-28)17-7-11-27(3)12-8-17/h5-6,15-18,22H,7-14,25H2,1-4H3,(H,26,29)/t22-/m1/s1
InChIKeyFQQMLPWBOWNFRE-JOCHJYFZSA-N
MW430.59 g/mol
LogP2.61
Rot. Bonds6

About 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide

3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide (PubChem CID 69142972) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
PubChem CID69142972
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC(C3CCN(C)CC3)CC2)C(C)C)cc1N
InChIInChI=1S/C24H38N4O3/c1-16(2)22(26-23(29)19-5-6-21(31-4)20(25)15-19)24(30)28-13-9-18(10-14-28)17-7-11-27(3)12-8-17/h5-6,15-18,22H,7-14,25H2,1-4H3,(H,26,29)/t22-/m1/s1
InChIKeyFQQMLPWBOWNFRE-JOCHJYFZSA-N
XLogP2.61
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69416536
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 69143492
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 119375717
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
N-[(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7096893
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide (CID 69142972) is 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(C3CCN(C)CC3)CC2)C(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The InChIKey is FQQMLPWBOWNFRE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-16(2)22(26-23(29)19-5-6-21(31-4)20(25)15-19)24(30)28-13-9-18(10-14-28)17-7-11-27(3)12-8-17/h5-6,15-18,22H,7-14,25H2,1-4H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide has a molecular weight of 430.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 69142972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).