N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide

C14H28N4O3 — CID 120704343

IUPACN-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
SMILESCNCC(=O)N1CCN(C(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-12(14(20)16-5-4-10-21-3)17-6-8-18(9-7-17)13(19)11-15-2/h12,15H,4-11H2,1-3H3,(H,16,20)
InChIKeyHCNVFAIESNESNR-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.11
Rot. Bonds8

About N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide

N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide (PubChem CID 120704343) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
PubChem CID120704343
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
SMILESCNCC(=O)N1CCN(C(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C14H28N4O3/c1-12(14(20)16-5-4-10-21-3)17-6-8-18(9-7-17)13(19)11-15-2/h12,15H,4-11H2,1-3H3,(H,16,20)
InChIKeyHCNVFAIESNESNR-UHFFFAOYSA-N
XLogP-1.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 120670161
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 103577229
(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide
CID 95977783
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
N-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide (CID 120704343) is N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide is CNCC(=O)N1CCN(C(C)C(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide?
The InChIKey is HCNVFAIESNESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-12(14(20)16-5-4-10-21-3)17-6-8-18(9-7-17)13(19)11-15-2/h12,15H,4-11H2,1-3H3,(H,16,20).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide?
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide has a molecular weight of 300.40 g/mol, XLogP of -1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 120704343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).