5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

C16H32ClN3O2 — CID 119647811

IUPAC5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-3-10-18-15(20)6-5-7-16(21)19-11-8-14(9-12-19)13-17-4-2;/h14,17H,3-13H2,1-2H3,(H,18,20);1H
InChIKeyLVYXALMKWULLMT-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.95
Rot. Bonds9

About 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (PubChem CID 119647811) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
PubChem CID119647811
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-3-10-18-15(20)6-5-7-16(21)19-11-8-14(9-12-19)13-17-4-2;/h14,17H,3-13H2,1-2H3,(H,18,20);1H
InChIKeyLVYXALMKWULLMT-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405
5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119412942
5-[4-(1-aminoethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119520390
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119645132
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The IUPAC name of 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (CID 119647811) is 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.
What is the SMILES notation for 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The canonical SMILES for 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is CCCNC(=O)CCCC(=O)N1CCC(CNCC)CC1.Cl.
What is the InChIKey of 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The InChIKey is LVYXALMKWULLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-3-10-18-15(20)6-5-7-16(21)19-11-8-14(9-12-19)13-17-4-2;/h14,17H,3-13H2,1-2H3,(H,18,20);1H.
What are the key properties of 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is sourced from PubChem (CID 119647811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).