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

C13H27N3O — CID 81079366

IUPAC4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCC(CN)CC(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-11(9-14)8-13(17)16(3)10-12-4-6-15(2)7-5-12/h11-12H,4-10,14H2,1-3H3
InChIKeyHNTBTUONLDDLPT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds5

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

4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 81079366) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID81079366
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCC(CN)CC(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-11(9-14)8-13(17)16(3)10-12-4-6-15(2)7-5-12/h11-12H,4-10,14H2,1-3H3
InChIKeyHNTBTUONLDDLPT-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
CID 81086817
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (CID 81079366) is 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide is CC(CN)CC(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is HNTBTUONLDDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(9-14)8-13(17)16(3)10-12-4-6-15(2)7-5-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 81079366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).