2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide

C14H29N3O2 — CID 107160661

IUPAC2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C14H29N3O2/c1-12(13(18)16-7-4-10-19-3)17-8-5-14(2,11-15)6-9-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyJIQJSELEFGSKLG-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.59
Rot. Bonds7

About 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 107160661) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID107160661
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C14H29N3O2/c1-12(13(18)16-7-4-10-19-3)17-8-5-14(2,11-15)6-9-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyJIQJSELEFGSKLG-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.59
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

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
CID 107160523
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 103577229
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 107160661) is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCC(C)(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is JIQJSELEFGSKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(13(18)16-7-4-10-19-3)17-8-5-14(2,11-15)6-9-17/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107160661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).