2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide

C15H31N3O2 — CID 107163797

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(14(19)16-8-5-11-20-4)17-12-15(2)6-9-18(3)10-7-15/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyIZTGTNFBWVNAKW-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds8

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 107163797) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
PubChem CID107163797
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(14(19)16-8-5-11-20-4)17-12-15(2)6-9-18(3)10-7-15/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyIZTGTNFBWVNAKW-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
N-(3-methoxypropyl)-2-[(4-methyloxan-4-yl)methylamino]propanamide
CID 103742237
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybutan-1-amine
CID 107163643
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide (CID 107163797) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is IZTGTNFBWVNAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(14(19)16-8-5-11-20-4)17-12-15(2)6-9-18(3)10-7-15/h13,17H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107163797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).