4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide

C16H26N4O2 — CID 120595080

IUPAC4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C16H26N4O2/c1-22-14(11-17)10-16(21)19-12-13-5-6-18-15(9-13)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10-12,17H2,1H3,(H,19,21)
InChIKeyMXPMMDKODIFERT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.05
Rot. Bonds7

About 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide

4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide (PubChem CID 120595080) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
PubChem CID120595080
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C16H26N4O2/c1-22-14(11-17)10-16(21)19-12-13-5-6-18-15(9-13)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10-12,17H2,1H3,(H,19,21)
InChIKeyMXPMMDKODIFERT-UHFFFAOYSA-N
XLogP1.05
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide (CID 120595080) is 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide is COC(CN)CC(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The InChIKey is MXPMMDKODIFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-14(11-17)10-16(21)19-12-13-5-6-18-15(9-13)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10-12,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.05, 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-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 120595080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).