3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide

C13H27N3O — CID 62659462

IUPAC3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1CCCN(C)C1
InChIInChI=1S/C13H27N3O/c1-3-7-15-13(17)6-8-14-10-12-5-4-9-16(2)11-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySRDCOMSNOZBDGE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide

3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide (PubChem CID 62659462) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
PubChem CID62659462
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1CCCN(C)C1
InChIInChI=1S/C13H27N3O/c1-3-7-15-13(17)6-8-14-10-12-5-4-9-16(2)11-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySRDCOMSNOZBDGE-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
CID 62658117
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide (CID 62659462) is 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCC1CCCN(C)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide?
The InChIKey is SRDCOMSNOZBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-7-15-13(17)6-8-14-10-12-5-4-9-16(2)11-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide?
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 62659462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).