N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride

C15H30ClN3O2 — CID 119546523

IUPACN,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
SMILESCCN(CC)C(=O)CCC(=O)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-4-17(5-2)14(19)6-7-15(20)18-10-8-13(9-11-18)12-16-3;/h13,16H,4-12H2,1-3H3;1H
InChIKeyUORLIYCWWNSWQK-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.51
Rot. Bonds7

About N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride

N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride (PubChem CID 119546523) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
PubChem CID119546523
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC NameN,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
SMILESCCN(CC)C(=O)CCC(=O)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-4-17(5-2)14(19)6-7-15(20)18-10-8-13(9-11-18)12-16-3;/h13,16H,4-12H2,1-3H3;1H
InChIKeyUORLIYCWWNSWQK-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 119544943
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride (CID 119546523) is N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride is CCN(CC)C(=O)CCC(=O)N1CCC(CNC)CC1.Cl.
What is the InChIKey of N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride?
The InChIKey is UORLIYCWWNSWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-4-17(5-2)14(19)6-7-15(20)18-10-8-13(9-11-18)12-16-3;/h13,16H,4-12H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride?
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).