N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide

C13H27N3O — CID 102673464

IUPACN-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)10-16-8-4-13(5-9-16)15-7-6-14-12(3)17/h11,13,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyIGBQFPQWFIMMTA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide

N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide (PubChem CID 102673464) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
PubChem CID102673464
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)10-16-8-4-13(5-9-16)15-7-6-14-12(3)17/h11,13,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyIGBQFPQWFIMMTA-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide (CID 102673464) is N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide?
The InChIKey is IGBQFPQWFIMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)10-16-8-4-13(5-9-16)15-7-6-14-12(3)17/h11,13,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide?
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 102673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).