N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide

C13H27N3O — CID 63849787

IUPACN,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-7-14-10-12-5-8-16(9-6-12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyHVTJFUZQOQDTIX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds6

About N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63849787) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63849787
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-7-14-10-12-5-8-16(9-6-12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyHVTJFUZQOQDTIX-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 55257781
N-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]octanamide
CID 122158507
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
N,N-dimethyl-2-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]acetamide
CID 107411593

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide (CID 63849787) is N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide is CCCNCC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is HVTJFUZQOQDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-7-14-10-12-5-8-16(9-6-12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).