N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide

C13H27N3O — CID 107164032

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-8-5-12(17)15-11-13(2)6-9-16(3)10-7-13/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyCCUCNLXTJYDCOH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide (PubChem CID 107164032) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
PubChem CID107164032
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-14-8-5-12(17)15-11-13(2)6-9-16(3)10-7-13/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyCCUCNLXTJYDCOH-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107165231
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
2-(2-aminoethoxy)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107164001
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
CID 107163609
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide (CID 107164032) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide?
The InChIKey is CCUCNLXTJYDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-14-8-5-12(17)15-11-13(2)6-9-16(3)10-7-13/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 107164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).