3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide

C16H31N3O — CID 122080536

IUPAC3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(CC(=O)NCCC1CCCNC1)C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-13(15-5-8-17-9-6-15)11-16(20)19-10-4-14-3-2-7-18-12-14/h13-15,17-18H,2-12H2,1H3,(H,19,20)
InChIKeyKNBIJAHRZRQILP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.52
Rot. Bonds6

About 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide

3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 122080536) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID122080536
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(CC(=O)NCCC1CCCNC1)C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-13(15-5-8-17-9-6-15)11-16(20)19-10-4-14-3-2-7-18-12-14/h13-15,17-18H,2-12H2,1H3,(H,19,20)
InChIKeyKNBIJAHRZRQILP-UHFFFAOYSA-N
XLogP1.52
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide (CID 122080536) is 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide is CC(CC(=O)NCCC1CCCNC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is KNBIJAHRZRQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(15-5-8-17-9-6-15)11-16(20)19-10-4-14-3-2-7-18-12-14/h13-15,17-18H,2-12H2,1H3,(H,19,20).
What are the key properties of 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide?
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 281.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 122080536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).