2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide

C16H33N3O — CID 114507963

IUPAC2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC(NC)C(CC)C1
InChIInChI=1S/C16H33N3O/c1-6-13-11-19(10-9-15(13)17-5)12(4)16(20)18-14(7-2)8-3/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyXJNFFRFKZJTHOG-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide

2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 114507963) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID114507963
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC(NC)C(CC)C1
InChIInChI=1S/C16H33N3O/c1-6-13-11-19(10-9-15(13)17-5)12(4)16(20)18-14(7-2)8-3/h12-15,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyXJNFFRFKZJTHOG-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507912
N-tert-butyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507937
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
CID 114507986
N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
CID 60818780
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]propanamide
CID 114507497
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 114507664

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide (CID 114507963) is 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCC(NC)C(CC)C1.
What is the InChIKey of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is XJNFFRFKZJTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-13-11-19(10-9-15(13)17-5)12(4)16(20)18-14(7-2)8-3/h12-15,17H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 114507963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).