4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide

C15H32N4O — CID 81086817

IUPAC4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
SMILESCC(CN)CC(=O)N(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-13(12-16)11-15(20)19(4)10-9-18(3)14-5-7-17(2)8-6-14/h13-14H,5-12,16H2,1-4H3
InChIKeyKWXKRSLQJYHGSJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.46
Rot. Bonds7

About 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide

4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide (PubChem CID 81086817) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
PubChem CID81086817
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
SMILESCC(CN)CC(=O)N(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-13(12-16)11-15(20)19(4)10-9-18(3)14-5-7-17(2)8-6-14/h13-14H,5-12,16H2,1-4H3
InChIKeyKWXKRSLQJYHGSJ-UHFFFAOYSA-N
XLogP0.46
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 43290375
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102862103
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
CID 110442144
2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid
CID 81086743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide (CID 81086817) is 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide is CC(CN)CC(=O)N(C)CCN(C)C1CCN(C)CC1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide?
The InChIKey is KWXKRSLQJYHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-13(12-16)11-15(20)19(4)10-9-18(3)14-5-7-17(2)8-6-14/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide?
4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide has a molecular weight of 284.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide is sourced from PubChem (CID 81086817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).