2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide

C14H29N3O — CID 63849842

IUPAC2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCC(CNCC)C1
InChIInChI=1S/C14H29N3O/c1-4-8-16-14(18)12(3)17-9-6-7-13(11-17)10-15-5-2/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyKIQPJTRWEXGYRR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

About 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide

2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide (PubChem CID 63849842) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
PubChem CID63849842
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCCC(CNCC)C1
InChIInChI=1S/C14H29N3O/c1-4-8-16-14(18)12(3)17-9-6-7-13(11-17)10-15-5-2/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyKIQPJTRWEXGYRR-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
1-piperidin-1-yl-2-[3-(propylaminomethyl)piperidin-1-yl]propan-1-one
CID 63848820
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide (CID 63849842) is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCCC(CNCC)C1.
What is the InChIKey of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide?
The InChIKey is KIQPJTRWEXGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-8-16-14(18)12(3)17-9-6-7-13(11-17)10-15-5-2/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide?
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 63849842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).