5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide

C15H29N3O2 — CID 119546405

IUPAC5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C15H29N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-10-7-13(8-11-18)12-16-2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyKQYAPHOTZPQLSX-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds8

About 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide

5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide (PubChem CID 119546405) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
PubChem CID119546405
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C15H29N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-10-7-13(8-11-18)12-16-2/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyKQYAPHOTZPQLSX-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119647811
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
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide?
The IUPAC name of 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide (CID 119546405) is 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide is CCCNC(=O)CCCC(=O)N1CCC(CNC)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide?
The InChIKey is KQYAPHOTZPQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-10-7-13(8-11-18)12-16-2/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide?
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide has a molecular weight of 283.42 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide is sourced from PubChem (CID 119546405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).