2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride

C18H36Cl2N4O4 — CID 119877454

IUPAC2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H34N4O4.2ClH/c1-15(16(23)20-7-4-14-25-2)21-10-12-22(13-11-21)17(24)18(26-3)5-8-19-9-6-18;;/h15,19H,4-14H2,1-3H3,(H,20,23);2*1H
InChIKeyBKLAFUMRZAFZQF-UHFFFAOYSA-N
MW443.42 g/mol
LogP0.28
Rot. Bonds8

About 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride (PubChem CID 119877454) has the molecular formula C18H36Cl2N4O4 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
PubChem CID119877454
Molecular FormulaC18H36Cl2N4O4
Molecular Weight443.42 g/mol
Exact Mass442.21
IUPAC Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H34N4O4.2ClH/c1-15(16(23)20-7-4-14-25-2)21-10-12-22(13-11-21)17(24)18(26-3)5-8-19-9-6-18;;/h15,19H,4-14H2,1-3H3,(H,20,23);2*1H
InChIKeyBKLAFUMRZAFZQF-UHFFFAOYSA-N
XLogP0.28
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
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
(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 119891706
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119880307
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
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-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 120670161
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride (CID 119877454) is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The canonical SMILES for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride is COCCCNC(=O)C(C)N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The InChIKey is BKLAFUMRZAFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4.2ClH/c1-15(16(23)20-7-4-14-25-2)21-10-12-22(13-11-21)17(24)18(26-3)5-8-19-9-6-18;;/h15,19H,4-14H2,1-3H3,(H,20,23);2*1H.
What are the key properties of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride has a molecular weight of 443.42 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride is sourced from PubChem (CID 119877454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).