3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide

C17H33N3O — CID 81048676

IUPAC3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-9-20-10-6-16(7-11-20)19-17(21)12-14(2)15-5-4-8-18-13-15/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyALKNXBWPTZFQBX-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.00
Rot. Bonds6

About 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide

3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide (PubChem CID 81048676) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
PubChem CID81048676
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-9-20-10-6-16(7-11-20)19-17(21)12-14(2)15-5-4-8-18-13-15/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyALKNXBWPTZFQBX-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide (CID 81048676) is 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide is CCCN1CCC(NC(=O)CC(C)C2CCCNC2)CC1.
What is the InChIKey of 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide?
The InChIKey is ALKNXBWPTZFQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-9-20-10-6-16(7-11-20)19-17(21)12-14(2)15-5-4-8-18-13-15/h14-16,18H,3-13H2,1-2H3,(H,19,21).
What are the key properties of 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide?
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide has a molecular weight of 295.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide is sourced from PubChem (CID 81048676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).