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

C13H27N3O — CID 63847147

IUPACN,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCCN1CC(=O)N(C)C
InChIInChI=1S/C13H27N3O/c1-4-8-14-10-12-7-5-6-9-16(12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyYXLCNYVERVCDIK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds6

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

N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63847147) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63847147
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCCN1CC(=O)N(C)C
InChIInChI=1S/C13H27N3O/c1-4-8-14-10-12-7-5-6-9-16(12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyYXLCNYVERVCDIK-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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

N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
CID 106438717
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849787
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 55256274
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide (CID 63847147) is N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide is CCCNCC1CCCCN1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is YXLCNYVERVCDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-8-14-10-12-7-5-6-9-16(12)11-13(17)15(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 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-[2-(propylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63847147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).