4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

C17H28N4O2 — CID 120595263

IUPAC4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13-5-7-21(8-6-13)16-4-3-14(11-19-16)12-20-17(22)9-15(10-18)23-2/h3-4,11,13,15H,5-10,12,18H2,1-2H3,(H,20,22)
InChIKeyGQSPOIQKDPUMCL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.30
Rot. Bonds7

About 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 120595263) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID120595263
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13-5-7-21(8-6-13)16-4-3-14(11-19-16)12-20-17(22)9-15(10-18)23-2/h3-4,11,13,15H,5-10,12,18H2,1-2H3,(H,20,22)
InChIKeyGQSPOIQKDPUMCL-UHFFFAOYSA-N
XLogP1.30
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119846231
2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94783206
2-cyclopent-2-en-1-yl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47043291
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (CID 120595263) is 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is COC(CN)CC(=O)NCc1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is GQSPOIQKDPUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-5-7-21(8-6-13)16-4-3-14(11-19-16)12-20-17(22)9-15(10-18)23-2/h3-4,11,13,15H,5-10,12,18H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 120595263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).