4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide

C15H31N3O2 — CID 106586452

IUPAC4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
SMILESCCN(CC)C(=O)CC(CN)N1CCCC(COC)C1
InChIInChI=1S/C15H31N3O2/c1-4-17(5-2)15(19)9-14(10-16)18-8-6-7-13(11-18)12-20-3/h13-14H,4-12,16H2,1-3H3
InChIKeyLLMQFOQLWGGBGX-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.93
Rot. Bonds8

About 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide

4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide (PubChem CID 106586452) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
PubChem CID106586452
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
SMILESCCN(CC)C(=O)CC(CN)N1CCCC(COC)C1
InChIInChI=1S/C15H31N3O2/c1-4-17(5-2)15(19)9-14(10-16)18-8-6-7-13(11-18)12-20-3/h13-14H,4-12,16H2,1-3H3
InChIKeyLLMQFOQLWGGBGX-UHFFFAOYSA-N
XLogP0.93
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 66427812
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
CID 106589339

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide (CID 106586452) is 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide is CCN(CC)C(=O)CC(CN)N1CCCC(COC)C1.
What is the InChIKey of 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide?
The InChIKey is LLMQFOQLWGGBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-17(5-2)15(19)9-14(10-16)18-8-6-7-13(11-18)12-20-3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide?
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide has a molecular weight of 285.43 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 106586452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).